---
_id: '50221'
abstract:
- lang: eng
text: "Memory Gym presents a suite of 2D partially observable environments, namely\r\nMortar
Mayhem, Mystery Path, and Searing Spotlights, designed to benchmark\r\nmemory
capabilities in decision-making agents. These environments, originally\r\nwith
finite tasks, are expanded into innovative, endless formats, mirroring the\r\nescalating
challenges of cumulative memory games such as ``I packed my bag''.\r\nThis progression
in task design shifts the focus from merely assessing sample\r\nefficiency to
also probing the levels of memory effectiveness in dynamic,\r\nprolonged scenarios.
To address the gap in available memory-based Deep\r\nReinforcement Learning baselines,
we introduce an implementation that\r\nintegrates Transformer-XL (TrXL) with Proximal
Policy Optimization. This\r\napproach utilizes TrXL as a form of episodic memory,
employing a sliding window\r\ntechnique. Our comparative study between the Gated
Recurrent Unit (GRU) and\r\nTrXL reveals varied performances across different
settings. TrXL, on the finite\r\nenvironments, demonstrates superior sample efficiency
in Mystery Path and\r\noutperforms in Mortar Mayhem. However, GRU is more efficient
on Searing\r\nSpotlights. Most notably, in all endless tasks, GRU makes a remarkable\r\nresurgence,
consistently outperforming TrXL by significant margins. Website and\r\nSource
Code: https://github.com/MarcoMeter/endless-memory-gym/"
author:
- first_name: Marco
full_name: Pleines, Marco
last_name: Pleines
- first_name: Matthias
full_name: Pallasch, Matthias
last_name: Pallasch
- first_name: Frank
full_name: Zimmer, Frank
last_name: Zimmer
- first_name: Mike
full_name: Preuss, Mike
last_name: Preuss
citation:
ama: 'Pleines M, Pallasch M, Zimmer F, Preuss M. Memory Gym: Towards Endless Tasks
to Benchmark Memory Capabilities of Agents. arXiv:230917207. Published
online 2023.'
apa: 'Pleines, M., Pallasch, M., Zimmer, F., & Preuss, M. (2023). Memory Gym:
Towards Endless Tasks to Benchmark Memory Capabilities of Agents. In arXiv:2309.17207.'
bibtex: '@article{Pleines_Pallasch_Zimmer_Preuss_2023, title={Memory Gym: Towards
Endless Tasks to Benchmark Memory Capabilities of Agents}, journal={arXiv:2309.17207},
author={Pleines, Marco and Pallasch, Matthias and Zimmer, Frank and Preuss, Mike},
year={2023} }'
chicago: 'Pleines, Marco, Matthias Pallasch, Frank Zimmer, and Mike Preuss. “Memory
Gym: Towards Endless Tasks to Benchmark Memory Capabilities of Agents.” ArXiv:2309.17207,
2023.'
ieee: 'M. Pleines, M. Pallasch, F. Zimmer, and M. Preuss, “Memory Gym: Towards Endless
Tasks to Benchmark Memory Capabilities of Agents,” arXiv:2309.17207. 2023.'
mla: 'Pleines, Marco, et al. “Memory Gym: Towards Endless Tasks to Benchmark Memory
Capabilities of Agents.” ArXiv:2309.17207, 2023.'
short: M. Pleines, M. Pallasch, F. Zimmer, M. Preuss, ArXiv:2309.17207 (2023).
date_created: 2024-01-05T12:38:42Z
date_updated: 2024-01-05T12:39:50Z
department:
- _id: '27'
external_id:
arxiv:
- '2309.17207'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2309.17207
status: public
title: 'Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of Agents'
type: preprint
user_id: '67287'
year: '2023'
...
---
_id: '46191'
author:
- first_name: Christoph
full_name: Alt, Christoph
id: '100625'
last_name: Alt
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Sara
full_name: Faghih-Naini, Sara
last_name: Faghih-Naini
- first_name: Jennifer
full_name: Faj, Jennifer
id: '78722'
last_name: Faj
- first_name: Jan-Oliver
full_name: Opdenhövel, Jan-Oliver
last_name: Opdenhövel
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Vadym
full_name: Aizinger, Vadym
last_name: Aizinger
- first_name: Jan
full_name: Hönig, Jan
last_name: Hönig
- first_name: Harald
full_name: Köstler, Harald
last_name: Köstler
citation:
ama: 'Alt C, Kenter T, Faghih-Naini S, et al. Shallow Water DG Simulations on FPGAs:
Design and Comparison of a Novel Code Generation Pipeline. In: Lecture Notes
in Computer Science. Springer Nature Switzerland; 2023. doi:10.1007/978-3-031-32041-5_5'
apa: 'Alt, C., Kenter, T., Faghih-Naini, S., Faj, J., Opdenhövel, J.-O., Plessl,
C., Aizinger, V., Hönig, J., & Köstler, H. (2023). Shallow Water DG Simulations
on FPGAs: Design and Comparison of a Novel Code Generation Pipeline. In Lecture
Notes in Computer Science. Springer Nature Switzerland. https://doi.org/10.1007/978-3-031-32041-5_5'
bibtex: '@inbook{Alt_Kenter_Faghih-Naini_Faj_Opdenhövel_Plessl_Aizinger_Hönig_Köstler_2023,
place={Cham}, title={Shallow Water DG Simulations on FPGAs: Design and Comparison
of a Novel Code Generation Pipeline}, DOI={10.1007/978-3-031-32041-5_5},
booktitle={Lecture Notes in Computer Science}, publisher={Springer Nature Switzerland},
author={Alt, Christoph and Kenter, Tobias and Faghih-Naini, Sara and Faj, Jennifer
and Opdenhövel, Jan-Oliver and Plessl, Christian and Aizinger, Vadym and Hönig,
Jan and Köstler, Harald}, year={2023} }'
chicago: 'Alt, Christoph, Tobias Kenter, Sara Faghih-Naini, Jennifer Faj, Jan-Oliver
Opdenhövel, Christian Plessl, Vadym Aizinger, Jan Hönig, and Harald Köstler. “Shallow
Water DG Simulations on FPGAs: Design and Comparison of a Novel Code Generation
Pipeline.” In Lecture Notes in Computer Science. Cham: Springer Nature
Switzerland, 2023. https://doi.org/10.1007/978-3-031-32041-5_5.'
ieee: 'C. Alt et al., “Shallow Water DG Simulations on FPGAs: Design and Comparison
of a Novel Code Generation Pipeline,” in Lecture Notes in Computer Science,
Cham: Springer Nature Switzerland, 2023.'
mla: 'Alt, Christoph, et al. “Shallow Water DG Simulations on FPGAs: Design and Comparison
of a Novel Code Generation Pipeline.” Lecture Notes in Computer Science,
Springer Nature Switzerland, 2023, doi:10.1007/978-3-031-32041-5_5.'
short: 'C. Alt, T. Kenter, S. Faghih-Naini, J. Faj, J.-O. Opdenhövel, C. Plessl,
V. Aizinger, J. Hönig, H. Köstler, in: Lecture Notes in Computer Science, Springer
Nature Switzerland, Cham, 2023.'
date_created: 2023-07-28T09:53:21Z
date_updated: 2024-01-22T09:58:49Z
department:
- _id: '27'
- _id: '518'
doi: 10.1007/978-3-031-32041-5_5
language:
- iso: eng
place: Cham
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Lecture Notes in Computer Science
publication_identifier:
isbn:
- '9783031320408'
- '9783031320415'
issn:
- 0302-9743
- 1611-3349
publication_status: published
publisher: Springer Nature Switzerland
quality_controlled: '1'
status: public
title: 'Shallow Water DG Simulations on FPGAs: Design and Comparison of a Novel Code
Generation Pipeline'
type: book_chapter
user_id: '3145'
year: '2023'
...
---
_id: '43439'
abstract:
- lang: eng
text: "This preprint makes the claim of having computed the $9^{th}$ Dedekind\r\nNumber.
This was done by building an efficient FPGA Accelerator for the core\r\noperation
of the process, and parallelizing it on the Noctua 2 Supercluster at\r\nPaderborn
University. The resulting value is\r\n286386577668298411128469151667598498812366.
This value can be verified in two\r\nsteps. We have made the data file containing
the 490M results available, each\r\nof which can be verified separately on CPU,
and the whole file sums to our\r\nproposed value."
author:
- first_name: Lennart
full_name: Van Hirtum, Lennart
last_name: Van Hirtum
- first_name: Patrick
full_name: De Causmaecker, Patrick
last_name: De Causmaecker
- first_name: Jens
full_name: Goemaere, Jens
last_name: Goemaere
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Heinrich
full_name: Riebler, Heinrich
id: '8961'
last_name: Riebler
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Van Hirtum L, De Causmaecker P, Goemaere J, et al. A computation of D(9) using
FPGA Supercomputing. arXiv:230403039. Published online 2023.
apa: Van Hirtum, L., De Causmaecker, P., Goemaere, J., Kenter, T., Riebler, H.,
Lass, M., & Plessl, C. (2023). A computation of D(9) using FPGA Supercomputing.
In arXiv:2304.03039.
bibtex: '@article{Van Hirtum_De Causmaecker_Goemaere_Kenter_Riebler_Lass_Plessl_2023,
title={A computation of D(9) using FPGA Supercomputing}, journal={arXiv:2304.03039},
author={Van Hirtum, Lennart and De Causmaecker, Patrick and Goemaere, Jens and
Kenter, Tobias and Riebler, Heinrich and Lass, Michael and Plessl, Christian},
year={2023} }'
chicago: Van Hirtum, Lennart, Patrick De Causmaecker, Jens Goemaere, Tobias Kenter,
Heinrich Riebler, Michael Lass, and Christian Plessl. “A Computation of D(9) Using
FPGA Supercomputing.” ArXiv:2304.03039, 2023.
ieee: L. Van Hirtum et al., “A computation of D(9) using FPGA Supercomputing,”
arXiv:2304.03039. 2023.
mla: Van Hirtum, Lennart, et al. “A Computation of D(9) Using FPGA Supercomputing.”
ArXiv:2304.03039, 2023.
short: L. Van Hirtum, P. De Causmaecker, J. Goemaere, T. Kenter, H. Riebler, M.
Lass, C. Plessl, ArXiv:2304.03039 (2023).
date_created: 2023-04-08T11:05:29Z
date_updated: 2024-01-22T09:56:42Z
department:
- _id: '27'
- _id: '518'
external_id:
arxiv:
- '2304.03039'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2304.03039
status: public
title: A computation of D(9) using FPGA Supercomputing
type: preprint
user_id: '3145'
year: '2023'
...
---
_id: '32177'
abstract:
- lang: eng
text: "We investigate the early time development of the anisotropic transverse flow\r\nand
spatial eccentricities of a fireball with various particle-based transport\r\napproaches
using a fixed initial condition. In numerical simulations ranging\r\nfrom the
quasi-collisionless case to the hydrodynamic regime, we find that the\r\nonset
of $v_n$ and of related measures of anisotropic flow can be described\r\nwith
a simple power-law ansatz, with an exponent that depends on the amount of\r\nrescatterings
in the system. In the few-rescatterings regime we perform\r\nsemi-analytical calculations,
based on a systematic expansion in powers of time\r\nand the cross section, which
can reproduce the numerical findings."
author:
- first_name: Nicolas
full_name: Borghini, Nicolas
last_name: Borghini
- first_name: Marc
full_name: Borrell, Marc
last_name: Borrell
- first_name: Hendrik
full_name: Roch, Hendrik
last_name: Roch
citation:
ama: Borghini N, Borrell M, Roch H. Early time behavior of spatial and momentum
anisotropies in kinetic theory across different Knudsen numbers. arXiv:220113294.
Published online 2022.
apa: Borghini, N., Borrell, M., & Roch, H. (2022). Early time behavior of spatial
and momentum anisotropies in kinetic theory across different Knudsen numbers.
In arXiv:2201.13294.
bibtex: '@article{Borghini_Borrell_Roch_2022, title={Early time behavior of spatial
and momentum anisotropies in kinetic theory across different Knudsen numbers},
journal={arXiv:2201.13294}, author={Borghini, Nicolas and Borrell, Marc and Roch,
Hendrik}, year={2022} }'
chicago: Borghini, Nicolas, Marc Borrell, and Hendrik Roch. “Early Time Behavior
of Spatial and Momentum Anisotropies in Kinetic Theory across Different Knudsen
Numbers.” ArXiv:2201.13294, 2022.
ieee: N. Borghini, M. Borrell, and H. Roch, “Early time behavior of spatial and
momentum anisotropies in kinetic theory across different Knudsen numbers,” arXiv:2201.13294.
2022.
mla: Borghini, Nicolas, et al. “Early Time Behavior of Spatial and Momentum Anisotropies
in Kinetic Theory across Different Knudsen Numbers.” ArXiv:2201.13294,
2022.
short: N. Borghini, M. Borrell, H. Roch, ArXiv:2201.13294 (2022).
date_created: 2022-06-27T09:08:04Z
date_updated: 2022-06-27T09:35:53Z
department:
- _id: '27'
external_id:
arxiv:
- '2201.13294'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2201.13294
status: public
title: Early time behavior of spatial and momentum anisotropies in kinetic theory
across different Knudsen numbers
type: preprint
user_id: '67287'
year: '2022'
...
---
_id: '32178'
abstract:
- lang: eng
text: "We test the ability of the \"escape mechanism\" to create the anisotropic
flow\r\nobserved in high-energy nuclear collisions. We compare the flow harmonics
$v_n$\r\nin the few-rescatterings regime from two types of transport simulations,
with\r\n$2\\to 2$ and $2\\to 0$ collision kernels respectively, and from analytical\r\ncalculations
neglecting the gain term of the Boltzmann equation. We find that\r\nthe even flow
harmonics are similar in the three approaches, while the odd\r\nharmonics differ
significantly."
author:
- first_name: Benedikt
full_name: Bachmann, Benedikt
last_name: Bachmann
- first_name: Nicolas
full_name: Borghini, Nicolas
last_name: Borghini
- first_name: Nina
full_name: Feld, Nina
last_name: Feld
- first_name: Hendrik
full_name: Roch, Hendrik
last_name: Roch
citation:
ama: Bachmann B, Borghini N, Feld N, Roch H. Even anisotropic-flow harmonics are
from Venus, odd ones are from Mars. arXiv:220313306. Published online 2022.
apa: Bachmann, B., Borghini, N., Feld, N., & Roch, H. (2022). Even anisotropic-flow
harmonics are from Venus, odd ones are from Mars. In arXiv:2203.13306.
bibtex: '@article{Bachmann_Borghini_Feld_Roch_2022, title={Even anisotropic-flow
harmonics are from Venus, odd ones are from Mars}, journal={arXiv:2203.13306},
author={Bachmann, Benedikt and Borghini, Nicolas and Feld, Nina and Roch, Hendrik},
year={2022} }'
chicago: Bachmann, Benedikt, Nicolas Borghini, Nina Feld, and Hendrik Roch. “Even
Anisotropic-Flow Harmonics Are from Venus, Odd Ones Are from Mars.” ArXiv:2203.13306,
2022.
ieee: B. Bachmann, N. Borghini, N. Feld, and H. Roch, “Even anisotropic-flow harmonics
are from Venus, odd ones are from Mars,” arXiv:2203.13306. 2022.
mla: Bachmann, Benedikt, et al. “Even Anisotropic-Flow Harmonics Are from Venus,
Odd Ones Are from Mars.” ArXiv:2203.13306, 2022.
short: B. Bachmann, N. Borghini, N. Feld, H. Roch, ArXiv:2203.13306 (2022).
date_created: 2022-06-27T09:12:26Z
date_updated: 2022-06-27T09:35:34Z
department:
- _id: '27'
external_id:
arxiv:
- '2203.13306'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2203.13306
status: public
title: Even anisotropic-flow harmonics are from Venus, odd ones are from Mars
type: preprint
user_id: '67287'
year: '2022'
...
---
_id: '32183'
author:
- first_name: W
full_name: Hou, W
last_name: Hou
- first_name: Y
full_name: Yao, Y
last_name: Yao
- first_name: Y
full_name: Li, Y
last_name: Li
- first_name: B
full_name: Peng, B
last_name: Peng
- first_name: K
full_name: Shi, K
last_name: Shi
- first_name: Z
full_name: Zhou, Z
last_name: Zhou
- first_name: J
full_name: Pan, J
last_name: Pan
- first_name: M
full_name: Liu, M
last_name: Liu
- first_name: J
full_name: Hu, J
last_name: Hu
citation:
ama: Hou W, Yao Y, Li Y, et al. Linearly shifting ferromagnetic resonance response
of La0.7Sr0.3MnO3 thin film for body temperature sensors. Frontiers of materials
science. 2022;16(1).
apa: Hou, W., Yao, Y., Li, Y., Peng, B., Shi, K., Zhou, Z., Pan, J., Liu, M., &
Hu, J. (2022). Linearly shifting ferromagnetic resonance response of La0.7Sr0.3MnO3
thin film for body temperature sensors. Frontiers of Materials Science,
16(1).
bibtex: '@article{Hou_Yao_Li_Peng_Shi_Zhou_Pan_Liu_Hu_2022, title={Linearly shifting
ferromagnetic resonance response of La0.7Sr0.3MnO3 thin film for body temperature
sensors}, volume={16}, number={1}, journal={Frontiers of materials science}, author={Hou,
W and Yao, Y and Li, Y and Peng, B and Shi, K and Zhou, Z and Pan, J and Liu,
M and Hu, J}, year={2022} }'
chicago: Hou, W, Y Yao, Y Li, B Peng, K Shi, Z Zhou, J Pan, M Liu, and J Hu. “Linearly
Shifting Ferromagnetic Resonance Response of La0.7Sr0.3MnO3 Thin Film for Body
Temperature Sensors.” Frontiers of Materials Science 16, no. 1 (2022).
ieee: W. Hou et al., “Linearly shifting ferromagnetic resonance response
of La0.7Sr0.3MnO3 thin film for body temperature sensors,” Frontiers of materials
science, vol. 16, no. 1, 2022.
mla: Hou, W., et al. “Linearly Shifting Ferromagnetic Resonance Response of La0.7Sr0.3MnO3
Thin Film for Body Temperature Sensors.” Frontiers of Materials Science,
vol. 16, no. 1, 2022.
short: W. Hou, Y. Yao, Y. Li, B. Peng, K. Shi, Z. Zhou, J. Pan, M. Liu, J. Hu, Frontiers
of Materials Science 16 (2022).
date_created: 2022-06-27T09:43:47Z
date_updated: 2022-06-27T12:49:59Z
department:
- _id: '27'
intvolume: ' 16'
issue: '1'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Frontiers of materials science
publication_identifier:
issn:
- 2095-025x
status: public
title: Linearly shifting ferromagnetic resonance response of La0.7Sr0.3MnO3 thin film
for body temperature sensors
type: journal_article
user_id: '15278'
volume: 16
year: '2022'
...
---
_id: '32234'
author:
- first_name: M
full_name: Wojciechowski, M
last_name: Wojciechowski
citation:
ama: Wojciechowski M. Dataset for random uniform distributions of 2D circles and
3D spheres. Data Brief. 2022;43:108318.
apa: Wojciechowski, M. (2022). Dataset for random uniform distributions of 2D circles
and 3D spheres. Data Brief, 43, 108318.
bibtex: '@article{Wojciechowski_2022, title={Dataset for random uniform distributions
of 2D circles and 3D spheres.}, volume={43}, journal={Data Brief}, author={Wojciechowski,
M}, year={2022}, pages={108318} }'
chicago: 'Wojciechowski, M. “Dataset for Random Uniform Distributions of 2D Circles
and 3D Spheres.” Data Brief 43 (2022): 108318.'
ieee: M. Wojciechowski, “Dataset for random uniform distributions of 2D circles
and 3D spheres.,” Data Brief, vol. 43, p. 108318, 2022.
mla: Wojciechowski, M. “Dataset for Random Uniform Distributions of 2D Circles and
3D Spheres.” Data Brief, vol. 43, 2022, p. 108318.
short: M. Wojciechowski, Data Brief 43 (2022) 108318.
date_created: 2022-06-28T06:53:33Z
date_updated: 2022-06-28T06:54:00Z
department:
- _id: '27'
external_id:
pmid:
- '35677623'
intvolume: ' 43'
language:
- iso: eng
page: '108318'
pmid: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Data Brief
publication_identifier:
issn:
- 2352-3409
status: public
title: Dataset for random uniform distributions of 2D circles and 3D spheres.
type: journal_article
user_id: '15278'
volume: 43
year: '2022'
...
---
_id: '32414'
author:
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
citation:
ama: Lass M. Bringing Massive Parallelism and Hardware Acceleration to Linear
Scaling Density Functional Theory Through Targeted Approximations. Universität
Paderborn; 2022. doi:10.17619/UNIPB/1-1281
apa: Lass, M. (2022). Bringing Massive Parallelism and Hardware Acceleration
to Linear Scaling Density Functional Theory Through Targeted Approximations.
Universität Paderborn. https://doi.org/10.17619/UNIPB/1-1281
bibtex: '@book{Lass_2022, place={Paderborn}, title={Bringing Massive Parallelism
and Hardware Acceleration to Linear Scaling Density Functional Theory Through
Targeted Approximations}, DOI={10.17619/UNIPB/1-1281},
publisher={Universität Paderborn}, author={Lass, Michael}, year={2022} }'
chicago: 'Lass, Michael. Bringing Massive Parallelism and Hardware Acceleration
to Linear Scaling Density Functional Theory Through Targeted Approximations.
Paderborn: Universität Paderborn, 2022. https://doi.org/10.17619/UNIPB/1-1281.'
ieee: 'M. Lass, Bringing Massive Parallelism and Hardware Acceleration to Linear
Scaling Density Functional Theory Through Targeted Approximations. Paderborn:
Universität Paderborn, 2022.'
mla: Lass, Michael. Bringing Massive Parallelism and Hardware Acceleration to
Linear Scaling Density Functional Theory Through Targeted Approximations.
Universität Paderborn, 2022, doi:10.17619/UNIPB/1-1281.
short: M. Lass, Bringing Massive Parallelism and Hardware Acceleration to Linear
Scaling Density Functional Theory Through Targeted Approximations, Universität
Paderborn, Paderborn, 2022.
date_created: 2022-07-25T18:13:51Z
date_updated: 2022-07-25T18:14:23Z
department:
- _id: '27'
- _id: '518'
doi: 10.17619/UNIPB/1-1281
language:
- iso: eng
place: Paderborn
publisher: Universität Paderborn
status: public
supervisor:
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
title: Bringing Massive Parallelism and Hardware Acceleration to Linear Scaling Density
Functional Theory Through Targeted Approximations
type: dissertation
user_id: '24135'
year: '2022'
...
---
_id: '36879'
abstract:
- lang: eng
text: The Julia programming language has evolved into a modern alternative to fill
existing gaps in scientific computing and data science applications. Julia leverages
a unified and coordinated single-language and ecosystem paradigm and has a proven
track record of achieving high performance without sacrificing user productivity.
These aspects make Julia a viable alternative to high-performance computing's
(HPC's) existing and increasingly costly many-body workflow composition strategy
in which traditional HPC languages (e.g., Fortran, C, C++) are used for simulations,
and higher-level languages (e.g., Python, R, MATLAB) are used for data analysis
and interactive computing. Julia's rapid growth in language capabilities, package
ecosystem, and community make it a promising universal language for HPC. This
paper presents the views of a multidisciplinary group of researchers from academia,
government, and industry that advocate for an HPC software development paradigm
that emphasizes developer productivity, workflow portability, and low barriers
for entry. We believe that the Julia programming language, its ecosystem, and
its community provide modern and powerful capabilities that enable this group's
objectives. Crucially, we believe that Julia can provide a feasible and less costly
approach to programming scientific applications and workflows that target HPC
facilities. In this work, we examine the current practice and role of Julia as
a common, end-to-end programming model to address major challenges in scientific
reproducibility, data-driven AI/machine learning, co-design and workflows, scalability
and performance portability in heterogeneous computing, network communication,
data management, and community education. As a result, the diversification of
current investments to fulfill the needs of the upcoming decade is crucial as
more supercomputing centers prepare for the exascale era.
author:
- first_name: Valentin
full_name: Churavy, Valentin
last_name: Churavy
- first_name: William F
full_name: Godoy, William F
last_name: Godoy
- first_name: Carsten
full_name: Bauer, Carsten
id: '90082'
last_name: Bauer
- first_name: Hendrik
full_name: Ranocha, Hendrik
last_name: Ranocha
- first_name: Michael
full_name: Schlottke-Lakemper, Michael
last_name: Schlottke-Lakemper
- first_name: Ludovic
full_name: Räss, Ludovic
last_name: Räss
- first_name: Johannes
full_name: Blaschke, Johannes
last_name: Blaschke
- first_name: Mosè
full_name: Giordano, Mosè
last_name: Giordano
- first_name: Erik
full_name: Schnetter, Erik
last_name: Schnetter
- first_name: Samuel
full_name: Omlin, Samuel
last_name: Omlin
- first_name: Jeffrey S
full_name: Vetter, Jeffrey S
last_name: Vetter
- first_name: Alan
full_name: Edelman, Alan
last_name: Edelman
citation:
ama: Churavy V, Godoy WF, Bauer C, et al. Bridging HPC Communities through the Julia
Programming Language. Published online 2022.
apa: Churavy, V., Godoy, W. F., Bauer, C., Ranocha, H., Schlottke-Lakemper, M.,
Räss, L., Blaschke, J., Giordano, M., Schnetter, E., Omlin, S., Vetter, J. S.,
& Edelman, A. (2022). Bridging HPC Communities through the Julia Programming
Language.
bibtex: '@article{Churavy_Godoy_Bauer_Ranocha_Schlottke-Lakemper_Räss_Blaschke_Giordano_Schnetter_Omlin_et
al._2022, title={Bridging HPC Communities through the Julia Programming Language},
author={Churavy, Valentin and Godoy, William F and Bauer, Carsten and Ranocha,
Hendrik and Schlottke-Lakemper, Michael and Räss, Ludovic and Blaschke, Johannes
and Giordano, Mosè and Schnetter, Erik and Omlin, Samuel and et al.}, year={2022}
}'
chicago: Churavy, Valentin, William F Godoy, Carsten Bauer, Hendrik Ranocha, Michael
Schlottke-Lakemper, Ludovic Räss, Johannes Blaschke, et al. “Bridging HPC Communities
through the Julia Programming Language,” 2022.
ieee: V. Churavy et al., “Bridging HPC Communities through the Julia Programming
Language.” 2022.
mla: Churavy, Valentin, et al. Bridging HPC Communities through the Julia Programming
Language. 2022.
short: V. Churavy, W.F. Godoy, C. Bauer, H. Ranocha, M. Schlottke-Lakemper, L. Räss,
J. Blaschke, M. Giordano, E. Schnetter, S. Omlin, J.S. Vetter, A. Edelman, (2022).
date_created: 2023-01-16T09:10:48Z
date_updated: 2023-01-16T09:16:20Z
department:
- _id: '27'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/2211.02740
oa: '1'
status: public
title: Bridging HPC Communities through the Julia Programming Language
type: preprint
user_id: '90082'
year: '2022'
...
---
_id: '40523'
abstract:
- lang: eng
text: AbstractTailored nanoscale quantum light
sources, matching the specific needs of use cases, are crucial building blocks
for photonic quantum technologies. Several different approaches to realize solid-state
quantum emitters with high performance have been pursued and different concepts
for energy tuning have been established. However, the properties of the emitted
photons are always defined by the individual quantum emitter and can therefore
not be controlled with full flexibility. Here we introduce an all-optical nonlinear
method to tailor and control the single photon emission. We demonstrate a laser-controlled
down-conversion process from an excited state of a semiconductor quantum three-level
system. Based on this concept, we realize energy tuning and polarization control
of the single photon emission with a control-laser field. Our results mark an
important step towards tailored single photon emission from a photonic quantum
system based on quantum optical principles.
article_number: '1387'
author:
- first_name: B.
full_name: Jonas, B.
last_name: Jonas
- first_name: Dirk Florian
full_name: Heinze, Dirk Florian
id: '10904'
last_name: Heinze
- first_name: E.
full_name: Schöll, E.
last_name: Schöll
- first_name: P.
full_name: Kallert, P.
last_name: Kallert
- first_name: T.
full_name: Langer, T.
last_name: Langer
- first_name: S.
full_name: Krehs, S.
last_name: Krehs
- first_name: A.
full_name: Widhalm, A.
last_name: Widhalm
- first_name: Klaus
full_name: Jöns, Klaus
id: '85353'
last_name: Jöns
- first_name: Dirk
full_name: Reuter, Dirk
id: '37763'
last_name: Reuter
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Jonas B, Heinze DF, Schöll E, et al. Nonlinear down-conversion in a single
quantum dot. Nature Communications. 2022;13(1). doi:10.1038/s41467-022-28993-3
apa: Jonas, B., Heinze, D. F., Schöll, E., Kallert, P., Langer, T., Krehs, S., Widhalm,
A., Jöns, K., Reuter, D., Schumacher, S., & Zrenner, A. (2022). Nonlinear
down-conversion in a single quantum dot. Nature Communications, 13(1),
Article 1387. https://doi.org/10.1038/s41467-022-28993-3
bibtex: '@article{Jonas_Heinze_Schöll_Kallert_Langer_Krehs_Widhalm_Jöns_Reuter_Schumacher_et
al._2022, title={Nonlinear down-conversion in a single quantum dot}, volume={13},
DOI={10.1038/s41467-022-28993-3},
number={11387}, journal={Nature Communications}, publisher={Springer Science and
Business Media LLC}, author={Jonas, B. and Heinze, Dirk Florian and Schöll, E.
and Kallert, P. and Langer, T. and Krehs, S. and Widhalm, A. and Jöns, Klaus and
Reuter, Dirk and Schumacher, Stefan and et al.}, year={2022} }'
chicago: Jonas, B., Dirk Florian Heinze, E. Schöll, P. Kallert, T. Langer, S. Krehs,
A. Widhalm, et al. “Nonlinear Down-Conversion in a Single Quantum Dot.” Nature
Communications 13, no. 1 (2022). https://doi.org/10.1038/s41467-022-28993-3.
ieee: 'B. Jonas et al., “Nonlinear down-conversion in a single quantum dot,”
Nature Communications, vol. 13, no. 1, Art. no. 1387, 2022, doi: 10.1038/s41467-022-28993-3.'
mla: Jonas, B., et al. “Nonlinear Down-Conversion in a Single Quantum Dot.” Nature
Communications, vol. 13, no. 1, 1387, Springer Science and Business Media
LLC, 2022, doi:10.1038/s41467-022-28993-3.
short: B. Jonas, D.F. Heinze, E. Schöll, P. Kallert, T. Langer, S. Krehs, A. Widhalm,
K. Jöns, D. Reuter, S. Schumacher, A. Zrenner, Nature Communications 13 (2022).
date_created: 2023-01-27T13:41:42Z
date_updated: 2023-04-20T15:18:31Z
department:
- _id: '15'
- _id: '297'
- _id: '230'
- _id: '429'
- _id: '27'
- _id: '623'
- _id: '170'
- _id: '35'
doi: 10.1038/s41467-022-28993-3
intvolume: ' 13'
issue: '1'
keyword:
- General Physics and Astronomy
- General Biochemistry
- Genetics and Molecular Biology
- General Chemistry
- Multidisciplinary
language:
- iso: eng
project:
- _id: '53'
name: 'TRR 142: TRR 142'
- _id: '54'
name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '60'
name: 'TRR 142 - A03: TRR 142 - Subproject A03'
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Nature Communications
publication_identifier:
issn:
- 2041-1723
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: Nonlinear down-conversion in a single quantum dot
type: journal_article
user_id: '16199'
volume: 13
year: '2022'
...
---
_id: '46121'
article_number: '094505'
author:
- first_name: Luis
full_name: Altenkort, Luis
last_name: Altenkort
- first_name: Alexander M.
full_name: Eller, Alexander M.
last_name: Eller
- first_name: O.
full_name: Kaczmarek, O.
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Guy D.
full_name: Moore, Guy D.
last_name: Moore
- first_name: Hai-Tao
full_name: Shu, Hai-Tao
last_name: Shu
citation:
ama: Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Lattice QCD
noise reduction for bosonic correlators through blocking. Physical Review D.
2022;105(9). doi:10.1103/physrevd.105.094505
apa: Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &
Shu, H.-T. (2022). Lattice QCD noise reduction for bosonic correlators through
blocking. Physical Review D, 105(9), Article 094505. https://doi.org/10.1103/physrevd.105.094505
bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2022, title={Lattice
QCD noise reduction for bosonic correlators through blocking}, volume={105}, DOI={10.1103/physrevd.105.094505},
number={9094505}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and
Mazur, Lukas and Moore, Guy D. and Shu, Hai-Tao}, year={2022} }'
chicago: Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D.
Moore, and Hai-Tao Shu. “Lattice QCD Noise Reduction for Bosonic Correlators through
Blocking.” Physical Review D 105, no. 9 (2022). https://doi.org/10.1103/physrevd.105.094505.
ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T.
Shu, “Lattice QCD noise reduction for bosonic correlators through blocking,” Physical
Review D, vol. 105, no. 9, Art. no. 094505, 2022, doi: 10.1103/physrevd.105.094505.'
mla: Altenkort, Luis, et al. “Lattice QCD Noise Reduction for Bosonic Correlators
through Blocking.” Physical Review D, vol. 105, no. 9, 094505, American
Physical Society (APS), 2022, doi:10.1103/physrevd.105.094505.
short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu,
Physical Review D 105 (2022).
date_created: 2023-07-24T10:58:37Z
date_updated: 2023-07-26T09:23:17Z
department:
- _id: '27'
doi: 10.1103/physrevd.105.094505
intvolume: ' 105'
issue: '9'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Lattice QCD noise reduction for bosonic correlators through blocking
type: journal_article
user_id: '90492'
volume: 105
year: '2022'
...
---
_id: '33493'
abstract:
- lang: eng
text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
insights into a range of physical and chemical properties of various\r\nmolecular
and solid-state systems. Their importance to various fields,\r\nincluding materials
science, chemical sciences, computational chemistry and\r\ndevice physics, is
underscored by the large fraction of available public\r\nsupercomputing resources
devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
order to realize these promises, the\r\ncommunity of electronic structure software
developers will however first have\r\nto tackle a number of challenges pertaining
to the efficient use of new\r\narchitectures that will rely heavily on massive
parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
of the state-of-the-art in\r\nelectronic structure calculations and of the various
new directions being\r\npursued by the community. It covers 14 electronic structure
codes, presenting\r\ntheir current status, their development priorities over the
next five years,\r\nand their plans towards tackling the challenges and leveraging
the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
full_name: Gavini, Vikram
last_name: Gavini
- first_name: Stefano
full_name: Baroni, Stefano
last_name: Baroni
- first_name: Volker
full_name: Blum, Volker
last_name: Blum
- first_name: David R.
full_name: Bowler, David R.
last_name: Bowler
- first_name: Alexander
full_name: Buccheri, Alexander
last_name: Buccheri
- first_name: James R.
full_name: Chelikowsky, James R.
last_name: Chelikowsky
- first_name: Sambit
full_name: Das, Sambit
last_name: Das
- first_name: William
full_name: Dawson, William
last_name: Dawson
- first_name: Pietro
full_name: Delugas, Pietro
last_name: Delugas
- first_name: Mehmet
full_name: Dogan, Mehmet
last_name: Dogan
- first_name: Claudia
full_name: Draxl, Claudia
last_name: Draxl
- first_name: Giulia
full_name: Galli, Giulia
last_name: Galli
- first_name: Luigi
full_name: Genovese, Luigi
last_name: Genovese
- first_name: Paolo
full_name: Giannozzi, Paolo
last_name: Giannozzi
- first_name: Matteo
full_name: Giantomassi, Matteo
last_name: Giantomassi
- first_name: Xavier
full_name: Gonze, Xavier
last_name: Gonze
- first_name: Marco
full_name: Govoni, Marco
last_name: Govoni
- first_name: Andris
full_name: Gulans, Andris
last_name: Gulans
- first_name: François
full_name: Gygi, François
last_name: Gygi
- first_name: John M.
full_name: Herbert, John M.
last_name: Herbert
- first_name: Sebastian
full_name: Kokott, Sebastian
last_name: Kokott
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Kai-Hsin
full_name: Liou, Kai-Hsin
last_name: Liou
- first_name: Tsuyoshi
full_name: Miyazaki, Tsuyoshi
last_name: Miyazaki
- first_name: Phani
full_name: Motamarri, Phani
last_name: Motamarri
- first_name: Ayako
full_name: Nakata, Ayako
last_name: Nakata
- first_name: John E.
full_name: Pask, John E.
last_name: Pask
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Laura E.
full_name: Ratcliff, Laura E.
last_name: Ratcliff
- first_name: Ryan M.
full_name: Richard, Ryan M.
last_name: Richard
- first_name: Mariana
full_name: Rossi, Mariana
last_name: Rossi
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Matthias
full_name: Scheffler, Matthias
last_name: Scheffler
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Phanish
full_name: Suryanarayana, Phanish
last_name: Suryanarayana
- first_name: Marc
full_name: Torrent, Marc
last_name: Torrent
- first_name: Lionel
full_name: Truflandier, Lionel
last_name: Truflandier
- first_name: Theresa L.
full_name: Windus, Theresa L.
last_name: Windus
- first_name: Qimen
full_name: Xu, Qimen
last_name: Xu
- first_name: Victor W. -Z.
full_name: Yu, Victor W. -Z.
last_name: Yu
- first_name: Danny
full_name: Perez, Danny
last_name: Perez
citation:
ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
the Exascale Era. arXiv:220912747. Published online 2022.
apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
… Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
In arXiv:2209.12747.
bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
ieee: V. Gavini et al., “Roadmap on Electronic Structure Codes in the Exascale
Era,” arXiv:2209.12747. 2022.
mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
Era.” ArXiv:2209.12747, 2022.
short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
Perez, ArXiv:2209.12747 (2022).
date_created: 2022-09-28T05:25:10Z
date_updated: 2023-07-28T08:03:41Z
department:
- _id: '27'
- _id: '518'
external_id:
arxiv:
- '2209.12747'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '24135'
year: '2022'
...
---
_id: '46193'
author:
- first_name: Martin
full_name: Karp, Martin
last_name: Karp
- first_name: Artur
full_name: Podobas, Artur
last_name: Podobas
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Niclas
full_name: Jansson, Niclas
last_name: Jansson
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Philipp
full_name: Schlatter, Philipp
last_name: Schlatter
- first_name: Stefano
full_name: Markidis, Stefano
last_name: Markidis
citation:
ama: 'Karp M, Podobas A, Kenter T, et al. A High-Fidelity Flow Solver for Unstructured
Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.
In: International Conference on High Performance Computing in Asia-Pacific
Region. ACM; 2022. doi:10.1145/3492805.3492808'
apa: 'Karp, M., Podobas, A., Kenter, T., Jansson, N., Plessl, C., Schlatter, P.,
& Markidis, S. (2022). A High-Fidelity Flow Solver for Unstructured Meshes
on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.
International Conference on High Performance Computing in Asia-Pacific Region.
https://doi.org/10.1145/3492805.3492808'
bibtex: '@inproceedings{Karp_Podobas_Kenter_Jansson_Plessl_Schlatter_Markidis_2022,
title={A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable
Gate Arrays: Design, Evaluation, and Future Challenges}, DOI={10.1145/3492805.3492808},
booktitle={International Conference on High Performance Computing in Asia-Pacific
Region}, publisher={ACM}, author={Karp, Martin and Podobas, Artur and Kenter,
Tobias and Jansson, Niclas and Plessl, Christian and Schlatter, Philipp and Markidis,
Stefano}, year={2022} }'
chicago: 'Karp, Martin, Artur Podobas, Tobias Kenter, Niclas Jansson, Christian
Plessl, Philipp Schlatter, and Stefano Markidis. “A High-Fidelity Flow Solver
for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation,
and Future Challenges.” In International Conference on High Performance Computing
in Asia-Pacific Region. ACM, 2022. https://doi.org/10.1145/3492805.3492808.'
ieee: 'M. Karp et al., “A High-Fidelity Flow Solver for Unstructured Meshes
on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges,”
2022, doi: 10.1145/3492805.3492808.'
mla: 'Karp, Martin, et al. “A High-Fidelity Flow Solver for Unstructured Meshes
on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.”
International Conference on High Performance Computing in Asia-Pacific Region,
ACM, 2022, doi:10.1145/3492805.3492808.'
short: 'M. Karp, A. Podobas, T. Kenter, N. Jansson, C. Plessl, P. Schlatter, S.
Markidis, in: International Conference on High Performance Computing in Asia-Pacific
Region, ACM, 2022.'
date_created: 2023-07-28T11:51:55Z
date_updated: 2023-07-28T11:53:15Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3492805.3492808
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/pdf/10.1145/3492805.3492808
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: International Conference on High Performance Computing in Asia-Pacific
Region
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: 'A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable
Gate Arrays: Design, Evaluation, and Future Challenges'
type: conference
user_id: '3145'
year: '2022'
...
---
_id: '32404'
abstract:
- lang: eng
text: "The CP2K program package, which can be considered as the swiss army knife
of\r\natomistic simulations, is presented with a special emphasis on ab-initio\r\nmolecular
dynamics using the second-generation Car-Parrinello method. After\r\noutlining
current and near-term development efforts with regards to massively\r\nparallel
low-scaling post-Hartree-Fock and eigenvalue solvers, novel approaches\r\non how
we plan to take full advantage of future low-precision hardware\r\narchitectures
are introduced. Our focus here is on combining our submatrix\r\nmethod with the
approximate computing paradigm to address the immanent exascale\r\nera."
author:
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
citation:
ama: Kühne T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. arXiv:220514741.
Published online 2022.
apa: Kühne, T., Plessl, C., Schade, R., & Schütt, O. (2022). CP2K on the road
to exascale. In arXiv:2205.14741.
bibtex: '@article{Kühne_Plessl_Schade_Schütt_2022, title={CP2K on the road to exascale},
journal={arXiv:2205.14741}, author={Kühne, Thomas and Plessl, Christian and Schade,
Robert and Schütt, Ole}, year={2022} }'
chicago: Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CP2K on
the Road to Exascale.” ArXiv:2205.14741, 2022.
ieee: T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,”
arXiv:2205.14741. 2022.
mla: Kühne, Thomas, et al. “CP2K on the Road to Exascale.” ArXiv:2205.14741,
2022.
short: T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
date_created: 2022-07-22T08:14:08Z
date_updated: 2023-08-02T14:55:35Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
external_id:
arxiv:
- '2205.14741'
language:
- iso: eng
main_file_link:
- url: https://arxiv.org/abs/2205.14741
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2205.14741
status: public
title: CP2K on the road to exascale
type: preprint
user_id: '75963'
year: '2022'
...
---
_id: '33226'
abstract:
- lang: eng
text: A parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical
ground-state energy problem on gate-based quantum computers is presented. This
approach is based on the reduced density-matrix functional theory (RDMFT) formulation
of the electronic structure problem. For that purpose, the density-matrix functional
of the full system is decomposed into an indirectly coupled sum of density-matrix
functionals for all its subsystems using the adaptive cluster approximation to
RDMFT. The approximations involved in the decomposition and the adaptive cluster
approximation itself can be systematically converged to the exact result. The
solutions for the density-matrix functionals of the effective subsystems involves
a constrained minimization over many-particle states that are approximated by
parametrized trial states on the quantum computer similarly to the variational
quantum eigensolver. The independence of the density-matrix functionals of the
effective subsystems introduces a new level of parallelization and allows for
the computational treatment of much larger molecules on a quantum computer with
a given qubit count. In addition, for the proposed algorithm techniques are presented
to reduce the qubit count, the number of quantum programs, as well as its depth.
The evaluation of a density-matrix functional as the essential part of our approach
is demonstrated for Hubbard-like systems on IBM quantum computers based on superconducting
transmon qubits.
article_type: original
author:
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Carsten
full_name: Bauer, Carsten
id: '90082'
last_name: Bauer
- first_name: Konstantin
full_name: Tamoev, Konstantin
id: '50177'
last_name: Tamoev
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry
on noisy intermediate-scale quantum computers. Phys Rev Research. 2022;4:033160.
doi:10.1103/PhysRevResearch.4.033160
apa: Schade, R., Bauer, C., Tamoev, K., Mazur, L., Plessl, C., & Kühne, T. (2022).
Parallel quantum chemistry on noisy intermediate-scale quantum computers. Phys.
Rev. Research, 4, 033160. https://doi.org/10.1103/PhysRevResearch.4.033160
bibtex: '@article{Schade_Bauer_Tamoev_Mazur_Plessl_Kühne_2022, title={Parallel quantum
chemistry on noisy intermediate-scale quantum computers}, volume={4}, DOI={10.1103/PhysRevResearch.4.033160},
journal={Phys. Rev. Research}, publisher={American Physical Society}, author={Schade,
Robert and Bauer, Carsten and Tamoev, Konstantin and Mazur, Lukas and Plessl,
Christian and Kühne, Thomas}, year={2022}, pages={033160} }'
chicago: 'Schade, Robert, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian
Plessl, and Thomas Kühne. “Parallel Quantum Chemistry on Noisy Intermediate-Scale
Quantum Computers.” Phys. Rev. Research 4 (2022): 033160. https://doi.org/10.1103/PhysRevResearch.4.033160.'
ieee: 'R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, and T. Kühne, “Parallel
quantum chemistry on noisy intermediate-scale quantum computers,” Phys. Rev.
Research, vol. 4, p. 033160, 2022, doi: 10.1103/PhysRevResearch.4.033160.'
mla: Schade, Robert, et al. “Parallel Quantum Chemistry on Noisy Intermediate-Scale
Quantum Computers.” Phys. Rev. Research, vol. 4, American Physical Society,
2022, p. 033160, doi:10.1103/PhysRevResearch.4.033160.
short: R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev.
Research 4 (2022) 033160.
date_created: 2022-08-29T14:07:01Z
date_updated: 2023-08-02T15:04:22Z
department:
- _id: '27'
- _id: '518'
doi: 10.1103/PhysRevResearch.4.033160
intvolume: ' 4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.4.033160
oa: '1'
page: '033160'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Phys. Rev. Research
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Parallel quantum chemistry on noisy intermediate-scale quantum computers
type: journal_article
user_id: '75963'
volume: 4
year: '2022'
...
---
_id: '46275'
abstract:
- lang: eng
text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
insights into a range of physical and chemical properties of various\r\nmolecular
and solid-state systems. Their importance to various fields,\r\nincluding materials
science, chemical sciences, computational chemistry and\r\ndevice physics, is
underscored by the large fraction of available public\r\nsupercomputing resources
devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
order to realize these promises, the\r\ncommunity of electronic structure software
developers will however first have\r\nto tackle a number of challenges pertaining
to the efficient use of new\r\narchitectures that will rely heavily on massive
parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
of the state-of-the-art in\r\nelectronic structure calculations and of the various
new directions being\r\npursued by the community. It covers 14 electronic structure
codes, presenting\r\ntheir current status, their development priorities over the
next five years,\r\nand their plans towards tackling the challenges and leveraging
the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
full_name: Gavini, Vikram
last_name: Gavini
- first_name: Stefano
full_name: Baroni, Stefano
last_name: Baroni
- first_name: Volker
full_name: Blum, Volker
last_name: Blum
- first_name: David R.
full_name: Bowler, David R.
last_name: Bowler
- first_name: Alexander
full_name: Buccheri, Alexander
last_name: Buccheri
- first_name: James R.
full_name: Chelikowsky, James R.
last_name: Chelikowsky
- first_name: Sambit
full_name: Das, Sambit
last_name: Das
- first_name: William
full_name: Dawson, William
last_name: Dawson
- first_name: Pietro
full_name: Delugas, Pietro
last_name: Delugas
- first_name: Mehmet
full_name: Dogan, Mehmet
last_name: Dogan
- first_name: Claudia
full_name: Draxl, Claudia
last_name: Draxl
- first_name: Giulia
full_name: Galli, Giulia
last_name: Galli
- first_name: Luigi
full_name: Genovese, Luigi
last_name: Genovese
- first_name: Paolo
full_name: Giannozzi, Paolo
last_name: Giannozzi
- first_name: Matteo
full_name: Giantomassi, Matteo
last_name: Giantomassi
- first_name: Xavier
full_name: Gonze, Xavier
last_name: Gonze
- first_name: Marco
full_name: Govoni, Marco
last_name: Govoni
- first_name: Andris
full_name: Gulans, Andris
last_name: Gulans
- first_name: François
full_name: Gygi, François
last_name: Gygi
- first_name: John M.
full_name: Herbert, John M.
last_name: Herbert
- first_name: Sebastian
full_name: Kokott, Sebastian
last_name: Kokott
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Kai-Hsin
full_name: Liou, Kai-Hsin
last_name: Liou
- first_name: Tsuyoshi
full_name: Miyazaki, Tsuyoshi
last_name: Miyazaki
- first_name: Phani
full_name: Motamarri, Phani
last_name: Motamarri
- first_name: Ayako
full_name: Nakata, Ayako
last_name: Nakata
- first_name: John E.
full_name: Pask, John E.
last_name: Pask
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Laura E.
full_name: Ratcliff, Laura E.
last_name: Ratcliff
- first_name: Ryan M.
full_name: Richard, Ryan M.
last_name: Richard
- first_name: Mariana
full_name: Rossi, Mariana
last_name: Rossi
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Matthias
full_name: Scheffler, Matthias
last_name: Scheffler
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Phanish
full_name: Suryanarayana, Phanish
last_name: Suryanarayana
- first_name: Marc
full_name: Torrent, Marc
last_name: Torrent
- first_name: Lionel
full_name: Truflandier, Lionel
last_name: Truflandier
- first_name: Theresa L.
full_name: Windus, Theresa L.
last_name: Windus
- first_name: Qimen
full_name: Xu, Qimen
last_name: Xu
- first_name: Victor W. -Z.
full_name: Yu, Victor W. -Z.
last_name: Yu
- first_name: Danny
full_name: Perez, Danny
last_name: Perez
citation:
ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
the Exascale Era. arXiv:220912747. Published online 2022.
apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
… Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
In arXiv:2209.12747.
bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
ieee: V. Gavini et al., “Roadmap on Electronic Structure Codes in the Exascale
Era,” arXiv:2209.12747. 2022.
mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
Era.” ArXiv:2209.12747, 2022.
short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
Perez, ArXiv:2209.12747 (2022).
date_created: 2023-08-02T14:59:18Z
date_updated: 2023-08-02T15:00:47Z
department:
- _id: '27'
external_id:
arxiv:
- '2209.12747'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '75963'
year: '2022'
...
---
_id: '33684'
article_number: '102920'
author:
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Alfio
full_name: Lazzaro, Alfio
last_name: Lazzaro
- first_name: Hans
full_name: Pabst, Hans
last_name: Pabst
- first_name: Stephan
full_name: Mohr, Stephan
last_name: Mohr
- first_name: Jürg
full_name: Hutter, Jürg
last_name: Hutter
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based
ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel
Computing. 2022;111. doi:10.1016/j.parco.2022.102920
apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst,
H., Mohr, S., Hutter, J., Kühne, T., & Plessl, C. (2022). Towards electronic
structure-based ab-initio molecular dynamics simulations with hundreds of millions
of atoms. Parallel Computing, 111, Article 102920. https://doi.org/10.1016/j.parco.2022.102920
bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et
al._2022, title={Towards electronic structure-based ab-initio molecular dynamics
simulations with hundreds of millions of atoms}, volume={111}, DOI={10.1016/j.parco.2022.102920},
number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade,
Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt,
Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and
Kühne, Thomas and et al.}, year={2022} }'
chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt,
Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio
Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel
Computing 111 (2022). https://doi.org/10.1016/j.parco.2022.102920.
ieee: 'R. Schade et al., “Towards electronic structure-based ab-initio molecular
dynamics simulations with hundreds of millions of atoms,” Parallel Computing,
vol. 111, Art. no. 102920, 2022, doi: 10.1016/j.parco.2022.102920.'
mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular
Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing,
vol. 111, 102920, Elsevier BV, 2022, doi:10.1016/j.parco.2022.102920.
short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst,
S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
date_created: 2022-10-11T08:17:02Z
date_updated: 2023-08-02T15:03:55Z
department:
- _id: '613'
- _id: '27'
- _id: '518'
doi: 10.1016/j.parco.2022.102920
intvolume: ' 111'
keyword:
- Artificial Intelligence
- Computer Graphics and Computer-Aided Design
- Computer Networks and Communications
- Hardware and Architecture
- Theoretical Computer Science
- Software
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://www.sciencedirect.com/science/article/pii/S0167819122000242
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Parallel Computing
publication_identifier:
issn:
- 0167-8191
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Towards electronic structure-based ab-initio molecular dynamics simulations
with hundreds of millions of atoms
type: journal_article
user_id: '75963'
volume: 111
year: '2022'
...
---
_id: '27364'
author:
- first_name: Marius
full_name: Meyer, Marius
id: '40778'
last_name: Meyer
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Meyer M, Kenter T, Plessl C. In-depth FPGA Accelerator Performance Evaluation
with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and
Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed Computing.
Published online 2022. doi:10.1016/j.jpdc.2021.10.007
apa: Meyer, M., Kenter, T., & Plessl, C. (2022). In-depth FPGA Accelerator Performance
Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
for Intel and Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed
Computing. https://doi.org/10.1016/j.jpdc.2021.10.007
bibtex: '@article{Meyer_Kenter_Plessl_2022, title={In-depth FPGA Accelerator Performance
Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
for Intel and Xilinx FPGAs using OpenCL}, DOI={10.1016/j.jpdc.2021.10.007},
journal={Journal of Parallel and Distributed Computing}, author={Meyer, Marius
and Kenter, Tobias and Plessl, Christian}, year={2022} }'
chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “In-Depth FPGA Accelerator
Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark
Suite for Intel and Xilinx FPGAs Using OpenCL.” Journal of Parallel and Distributed
Computing, 2022. https://doi.org/10.1016/j.jpdc.2021.10.007.
ieee: 'M. Meyer, T. Kenter, and C. Plessl, “In-depth FPGA Accelerator Performance
Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
for Intel and Xilinx FPGAs using OpenCL,” Journal of Parallel and Distributed
Computing, 2022, doi: 10.1016/j.jpdc.2021.10.007.'
mla: Meyer, Marius, et al. “In-Depth FPGA Accelerator Performance Evaluation with
Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx
FPGAs Using OpenCL.” Journal of Parallel and Distributed Computing, 2022,
doi:10.1016/j.jpdc.2021.10.007.
short: M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing
(2022).
date_created: 2021-11-10T14:36:27Z
date_updated: 2023-09-26T10:26:56Z
department:
- _id: '27'
- _id: '518'
doi: 10.1016/j.jpdc.2021.10.007
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Parallel and Distributed Computing
publication_identifier:
issn:
- 0743-7315
publication_status: published
quality_controlled: '1'
status: public
title: In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks
from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL
type: journal_article
user_id: '15278'
year: '2022'
...
---
_id: '50146'
abstract:
- lang: eng
text: "Recent advances in numerical methods significantly pushed forward the\r\nunderstanding
of electrons coupled to quantized lattice vibrations. At this\r\nstage, it becomes
increasingly important to also account for the effects of\r\nphysically inevitable
environments. In particular, we study the transport\r\nproperties of the Hubbard-Holstein
Hamiltonian that models a large class of\r\nmaterials characterized by strong
electron-phonon coupling, in contact with a\r\ndissipative environment. Even in
the one-dimensional and isolated case,\r\nsimulating the quantum dynamics of such
a system with high accuracy is very\r\nchallenging due to the infinite dimensionality
of the phononic Hilbert spaces.\r\nFor this reason, the effects of dissipation
on the conductance properties of\r\nsuch systems have not been investigated systematically
so far. We combine the\r\nnon-Markovian hierarchy of pure states method and the
Markovian quantum jumps\r\nmethod with the newly introduced projected purified
density-matrix\r\nrenormalization group, creating powerful tensor-network methods
for dissipative\r\nquantum many-body systems. Investigating their numerical properties,
we find a\r\nsignificant speedup up to a factor $\\sim 30$ compared to conventional\r\ntensor-network
techniques. We apply these methods to study dissipative\r\nquenches, aiming for
an in-depth understanding of the formation, stability, and\r\nquasi-particle properties
of bipolarons. Surprisingly, our results show that in\r\nthe metallic phase dissipation
localizes the bipolarons, which is reminiscent\r\nof an indirect quantum Zeno
effect. However, the bipolaronic binding energy\r\nremains mainly unaffected,
even in the presence of strong dissipation,\r\nexhibiting remarkable bipolaron
stability. These findings shed light on the\r\nproblem of designing real materials
exhibiting phonon-mediated\r\nhigh-$T_\\mathrm{C}$ superconductivity."
author:
- first_name: Mattia
full_name: Moroder, Mattia
last_name: Moroder
- first_name: Martin
full_name: Grundner, Martin
last_name: Grundner
- first_name: François
full_name: Damanet, François
last_name: Damanet
- first_name: Ulrich
full_name: Schollwöck, Ulrich
last_name: Schollwöck
- first_name: Sam
full_name: Mardazad, Sam
last_name: Mardazad
- first_name: Stuart
full_name: Flannigan, Stuart
last_name: Flannigan
- first_name: Thomas
full_name: Köhler, Thomas
last_name: Köhler
- first_name: Sebastian
full_name: Paeckel, Sebastian
last_name: Paeckel
citation:
ama: Moroder M, Grundner M, Damanet F, et al. Stable bipolarons in open quantum
systems. Physical Review B 107, 214310 (2023). Published online 2022. doi:10.1103/PhysRevB.107.214310
apa: Moroder, M., Grundner, M., Damanet, F., Schollwöck, U., Mardazad, S., Flannigan,
S., Köhler, T., & Paeckel, S. (2022). Stable bipolarons in open quantum systems.
Physical Review B 107, 214310 (2023). https://doi.org/10.1103/PhysRevB.107.214310
bibtex: '@article{Moroder_Grundner_Damanet_Schollwöck_Mardazad_Flannigan_Köhler_Paeckel_2022,
title={Stable bipolarons in open quantum systems}, DOI={10.1103/PhysRevB.107.214310},
journal={Physical Review B 107, 214310 (2023)}, author={Moroder, Mattia and Grundner,
Martin and Damanet, François and Schollwöck, Ulrich and Mardazad, Sam and Flannigan,
Stuart and Köhler, Thomas and Paeckel, Sebastian}, year={2022} }'
chicago: Moroder, Mattia, Martin Grundner, François Damanet, Ulrich Schollwöck,
Sam Mardazad, Stuart Flannigan, Thomas Köhler, and Sebastian Paeckel. “Stable
Bipolarons in Open Quantum Systems.” Physical Review B 107, 214310 (2023),
2022. https://doi.org/10.1103/PhysRevB.107.214310.
ieee: 'M. Moroder et al., “Stable bipolarons in open quantum systems,” Physical
Review B 107, 214310 (2023), 2022, doi: 10.1103/PhysRevB.107.214310.'
mla: Moroder, Mattia, et al. “Stable Bipolarons in Open Quantum Systems.” Physical
Review B 107, 214310 (2023), 2022, doi:10.1103/PhysRevB.107.214310.
short: M. Moroder, M. Grundner, F. Damanet, U. Schollwöck, S. Mardazad, S. Flannigan,
T. Köhler, S. Paeckel, Physical Review B 107, 214310 (2023) (2022).
date_created: 2024-01-04T08:15:28Z
date_updated: 2024-01-04T08:15:53Z
department:
- _id: '27'
doi: 10.1103/PhysRevB.107.214310
external_id:
arxiv:
- '2207.08243'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review B 107, 214310 (2023)
status: public
title: Stable bipolarons in open quantum systems
type: journal_article
user_id: '67287'
year: '2022'
...
---
_id: '50148'
abstract:
- lang: eng
text: "We develop a general decomposition of an ensemble of initial density profiles\r\nin
terms of an average state and a basis of modes that represent the\r\nevent-by-event
fluctuations of the initial state. The basis is determined such\r\nthat the probability
distributions of the amplitudes of different modes are\r\nuncorrelated. Based
on this decomposition, we quantify the different types and\r\nprobabilities of
event-by-event fluctuations in Glauber and Saturation models\r\nand investigate
how the various modes affect different characteristics of the\r\ninitial state.
We perform simulations of the dynamical evolution with KoMPoST\r\nand MUSIC to
investigate the impact of the modes on final-state observables and\r\ntheir correlations."
author:
- first_name: Nicolas
full_name: Borghini, Nicolas
last_name: Borghini
- first_name: Marc
full_name: Borrell, Marc
last_name: Borrell
- first_name: Nina
full_name: Feld, Nina
last_name: Feld
- first_name: Hendrik
full_name: Roch, Hendrik
last_name: Roch
- first_name: Sören
full_name: Schlichting, Sören
last_name: Schlichting
- first_name: Clemens
full_name: Werthmann, Clemens
last_name: Werthmann
citation:
ama: Borghini N, Borrell M, Feld N, Roch H, Schlichting S, Werthmann C. Statistical
analysis of initial state and final state response in heavy-ion collisions. Phys
Rev C 107 (2023) 034905. Published online 2022. doi:10.1103/PhysRevC.107.034905
apa: Borghini, N., Borrell, M., Feld, N., Roch, H., Schlichting, S., & Werthmann,
C. (2022). Statistical analysis of initial state and final state response in
heavy-ion collisions. Phys. Rev. C 107 (2023) 034905. https://doi.org/10.1103/PhysRevC.107.034905
bibtex: '@article{Borghini_Borrell_Feld_Roch_Schlichting_Werthmann_2022, title={Statistical
analysis of initial state and final state response in heavy-ion collisions},
DOI={10.1103/PhysRevC.107.034905},
journal={Phys. Rev. C 107 (2023) 034905}, author={Borghini, Nicolas and Borrell,
Marc and Feld, Nina and Roch, Hendrik and Schlichting, Sören and Werthmann, Clemens},
year={2022} }'
chicago: Borghini, Nicolas, Marc Borrell, Nina Feld, Hendrik Roch, Sören Schlichting,
and Clemens Werthmann. “Statistical Analysis of Initial State and Final State
Response in Heavy-Ion Collisions.” Phys. Rev. C 107 (2023) 034905, 2022.
https://doi.org/10.1103/PhysRevC.107.034905.
ieee: 'N. Borghini, M. Borrell, N. Feld, H. Roch, S. Schlichting, and C. Werthmann,
“Statistical analysis of initial state and final state response in heavy-ion
collisions,” Phys. Rev. C 107 (2023) 034905, 2022, doi: 10.1103/PhysRevC.107.034905.'
mla: Borghini, Nicolas, et al. “Statistical Analysis of Initial State and Final
State Response in Heavy-Ion Collisions.” Phys. Rev. C 107 (2023) 034905,
2022, doi:10.1103/PhysRevC.107.034905.
short: N. Borghini, M. Borrell, N. Feld, H. Roch, S. Schlichting, C. Werthmann,
Phys. Rev. C 107 (2023) 034905 (2022).
date_created: 2024-01-04T08:18:29Z
date_updated: 2024-01-04T08:18:45Z
department:
- _id: '27'
doi: 10.1103/PhysRevC.107.034905
external_id:
arxiv:
- '2209.01176'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Phys. Rev. C 107 (2023) 034905
status: public
title: Statistical analysis of initial state and final state response in heavy-ion
collisions
type: journal_article
user_id: '67287'
year: '2022'
...
---
_id: '50149'
abstract:
- lang: eng
text: "Abstract\r\n RNA editing processes
are strikingly different in animals and plants. Up to thousands of specific cytidines
are converted into uridines in plant chloroplasts and mitochondria whereas up
to millions of adenosines are converted into inosines in animal nucleo-cytosolic
RNAs. It is unknown whether these two different RNA editing machineries are mutually
incompatible. RNA-binding pentatricopeptide repeat (PPR) proteins are the key
factors of plant organelle cytidine-to-uridine RNA editing. The complete absence
of PPR mediated editing of cytosolic RNAs might be due to a yet unknown barrier
that prevents its activity in the cytosol. Here, we transferred two plant mitochondrial
PPR-type editing factors into human cell lines to explore whether they could operate
in the nucleo-cytosolic environment. PPR56 and PPR65 not only faithfully edited
their native, co-transcribed targets but also different sets of off-targets in
the human background transcriptome. More than 900 of such off-targets with editing
efficiencies up to 91%, largely explained by known PPR-RNA binding properties,
were identified for PPR56. Engineering two crucial amino acid positions in its
PPR array led to predictable shifts in target recognition. We conclude that plant
PPR editing factors can operate in the entirely different genetic environment
of the human nucleo-cytosol and can be intentionally re-engineered towards new
targets."
author:
- first_name: Elena
full_name: Lesch, Elena
last_name: Lesch
- first_name: Maximilian T
full_name: Schilling, Maximilian T
last_name: Schilling
- first_name: Sarah
full_name: Brenner, Sarah
last_name: Brenner
- first_name: Yingying
full_name: Yang, Yingying
last_name: Yang
- first_name: Oliver J
full_name: Gruss, Oliver J
last_name: Gruss
- first_name: Volker
full_name: Knoop, Volker
last_name: Knoop
- first_name: Mareike
full_name: Schallenberg-Rüdinger, Mareike
last_name: Schallenberg-Rüdinger
citation:
ama: Lesch E, Schilling MT, Brenner S, et al. Plant mitochondrial RNA editing factors
can perform targeted C-to-U editing of nuclear transcripts in human cells. Nucleic
Acids Research. 2022;50(17):9966-9983. doi:10.1093/nar/gkac752
apa: Lesch, E., Schilling, M. T., Brenner, S., Yang, Y., Gruss, O. J., Knoop, V.,
& Schallenberg-Rüdinger, M. (2022). Plant mitochondrial RNA editing factors
can perform targeted C-to-U editing of nuclear transcripts in human cells. Nucleic
Acids Research, 50(17), 9966–9983. https://doi.org/10.1093/nar/gkac752
bibtex: '@article{Lesch_Schilling_Brenner_Yang_Gruss_Knoop_Schallenberg-Rüdinger_2022,
title={Plant mitochondrial RNA editing factors can perform targeted C-to-U editing
of nuclear transcripts in human cells}, volume={50}, DOI={10.1093/nar/gkac752},
number={17}, journal={Nucleic Acids Research}, publisher={Oxford University Press
(OUP)}, author={Lesch, Elena and Schilling, Maximilian T and Brenner, Sarah and
Yang, Yingying and Gruss, Oliver J and Knoop, Volker and Schallenberg-Rüdinger,
Mareike}, year={2022}, pages={9966–9983} }'
chicago: 'Lesch, Elena, Maximilian T Schilling, Sarah Brenner, Yingying Yang, Oliver J
Gruss, Volker Knoop, and Mareike Schallenberg-Rüdinger. “Plant Mitochondrial RNA
Editing Factors Can Perform Targeted C-to-U Editing of Nuclear Transcripts in
Human Cells.” Nucleic Acids Research 50, no. 17 (2022): 9966–83. https://doi.org/10.1093/nar/gkac752.'
ieee: 'E. Lesch et al., “Plant mitochondrial RNA editing factors can perform
targeted C-to-U editing of nuclear transcripts in human cells,” Nucleic Acids
Research, vol. 50, no. 17, pp. 9966–9983, 2022, doi: 10.1093/nar/gkac752.'
mla: Lesch, Elena, et al. “Plant Mitochondrial RNA Editing Factors Can Perform Targeted
C-to-U Editing of Nuclear Transcripts in Human Cells.” Nucleic Acids Research,
vol. 50, no. 17, Oxford University Press (OUP), 2022, pp. 9966–83, doi:10.1093/nar/gkac752.
short: E. Lesch, M.T. Schilling, S. Brenner, Y. Yang, O.J. Gruss, V. Knoop, M. Schallenberg-Rüdinger,
Nucleic Acids Research 50 (2022) 9966–9983.
date_created: 2024-01-04T08:23:01Z
date_updated: 2024-01-04T08:23:13Z
department:
- _id: '27'
doi: 10.1093/nar/gkac752
intvolume: ' 50'
issue: '17'
keyword:
- Genetics
language:
- iso: eng
page: 9966-9983
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Nucleic Acids Research
publication_identifier:
issn:
- 0305-1048
- 1362-4962
publication_status: published
publisher: Oxford University Press (OUP)
status: public
title: Plant mitochondrial RNA editing factors can perform targeted C-to-U editing
of nuclear transcripts in human cells
type: journal_article
user_id: '67287'
volume: 50
year: '2022'
...
---
_id: '28099'
abstract:
- lang: eng
text: N-body methods are one of the essential algorithmic building blocks of high-performance
and parallel computing. Previous research has shown promising performance for
implementing n-body simulations with pairwise force calculations on FPGAs. However,
to avoid challenges with accumulation and memory access patterns, the presented
designs calculate each pair of forces twice, along with both force sums of the
involved particles. Also, they require large problem instances with hundreds of
thousands of particles to reach their respective peak performance, limiting the
applicability for strong scaling scenarios. This work addresses both issues by
presenting a novel FPGA design that uses each calculated force twice and overlaps
data transfers and computations in a way that allows to reach peak performance
even for small problem instances, outperforming previous single precision results
even in double precision, and scaling linearly over multiple interconnected FPGAs.
For a comparison across architectures, we provide an equally optimized CPU reference,
which for large problems actually achieves higher peak performance per device,
however, given the strong scaling advantages of the FPGA design, in parallel setups
with few thousand particles per device, the FPGA platform achieves highest performance
and power efficiency.
article_type: original
author:
- first_name: Johannes
full_name: Menzel, Johannes
last_name: Menzel
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
citation:
ama: Menzel J, Plessl C, Kenter T. The Strong Scaling Advantage of FPGAs in HPC
for N-body Simulations. ACM Transactions on Reconfigurable Technology and Systems.
2021;15(1):1-30. doi:10.1145/3491235
apa: Menzel, J., Plessl, C., & Kenter, T. (2021). The Strong Scaling Advantage
of FPGAs in HPC for N-body Simulations. ACM Transactions on Reconfigurable
Technology and Systems, 15(1), 1–30. https://doi.org/10.1145/3491235
bibtex: '@article{Menzel_Plessl_Kenter_2021, title={The Strong Scaling Advantage
of FPGAs in HPC for N-body Simulations}, volume={15}, DOI={10.1145/3491235},
number={1}, journal={ACM Transactions on Reconfigurable Technology and Systems},
author={Menzel, Johannes and Plessl, Christian and Kenter, Tobias}, year={2021},
pages={1–30} }'
chicago: 'Menzel, Johannes, Christian Plessl, and Tobias Kenter. “The Strong Scaling
Advantage of FPGAs in HPC for N-Body Simulations.” ACM Transactions on Reconfigurable
Technology and Systems 15, no. 1 (2021): 1–30. https://doi.org/10.1145/3491235.'
ieee: 'J. Menzel, C. Plessl, and T. Kenter, “The Strong Scaling Advantage of FPGAs
in HPC for N-body Simulations,” ACM Transactions on Reconfigurable Technology
and Systems, vol. 15, no. 1, pp. 1–30, 2021, doi: 10.1145/3491235.'
mla: Menzel, Johannes, et al. “The Strong Scaling Advantage of FPGAs in HPC for
N-Body Simulations.” ACM Transactions on Reconfigurable Technology and Systems,
vol. 15, no. 1, 2021, pp. 1–30, doi:10.1145/3491235.
short: J. Menzel, C. Plessl, T. Kenter, ACM Transactions on Reconfigurable Technology
and Systems 15 (2021) 1–30.
date_created: 2021-11-30T10:00:31Z
date_updated: 2022-01-06T06:57:51Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3491235
intvolume: ' 15'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/10.1145/3491235
oa: '1'
page: 1-30
publication: ACM Transactions on Reconfigurable Technology and Systems
publication_identifier:
issn:
- 1936-7406
- 1936-7414
publication_status: published
quality_controlled: '1'
status: public
title: The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations
type: journal_article
user_id: '3145'
volume: 15
year: '2021'
...
---
_id: '27365'
author:
- first_name: Marius
full_name: Meyer, Marius
id: '40778'
last_name: Meyer
citation:
ama: 'Meyer M. Towards Performance Characterization of FPGAs in Context of HPC using
OpenCL Benchmarks. In: Proceedings of the 11th International Symposium on Highly
Efficient Accelerators and Reconfigurable Technologies. ; 2021. doi:10.1145/3468044.3468058'
apa: Meyer, M. (2021). Towards Performance Characterization of FPGAs in Context
of HPC using OpenCL Benchmarks. Proceedings of the 11th International Symposium
on Highly Efficient Accelerators and Reconfigurable Technologies. https://doi.org/10.1145/3468044.3468058
bibtex: '@inproceedings{Meyer_2021, title={Towards Performance Characterization
of FPGAs in Context of HPC using OpenCL Benchmarks}, DOI={10.1145/3468044.3468058},
booktitle={Proceedings of the 11th International Symposium on Highly Efficient
Accelerators and Reconfigurable Technologies}, author={Meyer, Marius}, year={2021}
}'
chicago: Meyer, Marius. “Towards Performance Characterization of FPGAs in Context
of HPC Using OpenCL Benchmarks.” In Proceedings of the 11th International Symposium
on Highly Efficient Accelerators and Reconfigurable Technologies, 2021. https://doi.org/10.1145/3468044.3468058.
ieee: 'M. Meyer, “Towards Performance Characterization of FPGAs in Context of HPC
using OpenCL Benchmarks,” 2021, doi: 10.1145/3468044.3468058.'
mla: Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of
HPC Using OpenCL Benchmarks.” Proceedings of the 11th International Symposium
on Highly Efficient Accelerators and Reconfigurable Technologies, 2021, doi:10.1145/3468044.3468058.
short: 'M. Meyer, in: Proceedings of the 11th International Symposium on Highly
Efficient Accelerators and Reconfigurable Technologies, 2021.'
date_created: 2021-11-10T14:42:17Z
date_updated: 2022-01-06T06:57:38Z
department:
- _id: '27'
doi: 10.1145/3468044.3468058
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Proceedings of the 11th International Symposium on Highly Efficient Accelerators
and Reconfigurable Technologies
publication_status: published
status: public
title: Towards Performance Characterization of FPGAs in Context of HPC using OpenCL
Benchmarks
type: conference
user_id: '40778'
year: '2021'
...
---
_id: '20886'
author:
- first_name: Tobias
full_name: Nickchen, Tobias
last_name: Nickchen
- first_name: Stefan
full_name: Heindorf, Stefan
last_name: Heindorf
- first_name: Gregor
full_name: Engels, Gregor
last_name: Engels
citation:
ama: 'Nickchen T, Heindorf S, Engels G. Generating Physically Sound Training Data
for Image Recognition of Additively Manufactured Parts. In: Proceedings of
the IEEE/CVF Winter Conference on Applications of Computer Vision. ; 2021:1994-2002.'
apa: Nickchen, T., Heindorf, S., & Engels, G. (2021). Generating Physically
Sound Training Data for Image Recognition of Additively Manufactured Parts. In
Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision
(pp. 1994–2002). Hawaii.
bibtex: '@inproceedings{Nickchen_Heindorf_Engels_2021, title={Generating Physically
Sound Training Data for Image Recognition of Additively Manufactured Parts}, booktitle={Proceedings
of the IEEE/CVF Winter Conference on Applications of Computer Vision}, author={Nickchen,
Tobias and Heindorf, Stefan and Engels, Gregor}, year={2021}, pages={1994–2002}
}'
chicago: Nickchen, Tobias, Stefan Heindorf, and Gregor Engels. “Generating Physically
Sound Training Data for Image Recognition of Additively Manufactured Parts.” In
Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision,
1994–2002, 2021.
ieee: T. Nickchen, S. Heindorf, and G. Engels, “Generating Physically Sound Training
Data for Image Recognition of Additively Manufactured Parts,” in Proceedings
of the IEEE/CVF Winter Conference on Applications of Computer Vision, Hawaii,
2021, pp. 1994–2002.
mla: Nickchen, Tobias, et al. “Generating Physically Sound Training Data for Image
Recognition of Additively Manufactured Parts.” Proceedings of the IEEE/CVF
Winter Conference on Applications of Computer Vision, 2021, pp. 1994–2002.
short: 'T. Nickchen, S. Heindorf, G. Engels, in: Proceedings of the IEEE/CVF Winter
Conference on Applications of Computer Vision, 2021, pp. 1994–2002.'
conference:
end_date: 2021-09-01
location: Hawaii
name: IEEE/CVF Winter Conference on Applications of Computer Vision
start_date: 2021-05-01
date_created: 2021-01-07T15:32:45Z
date_updated: 2022-01-06T06:54:41Z
department:
- _id: '66'
- _id: '534'
- _id: '624'
- _id: '219'
- _id: '27'
language:
- iso: eng
page: 1994-2002
publication: Proceedings of the IEEE/CVF Winter Conference on Applications of Computer
Vision
publication_status: published
status: public
title: Generating Physically Sound Training Data for Image Recognition of Additively
Manufactured Parts
type: conference
user_id: '27340'
year: '2021'
...
---
_id: '32243'
abstract:
- lang: eng
text: "Abstract\r\n The defining
feature of active particles is that they constantly propel themselves by locally
converting chemical energy into directed motion. This active self-propulsion prevents
them from equilibrating with their thermal environment (e.g. an aqueous solution),
thus keeping them permanently out of equilibrium. Nevertheless, the spatial dynamics
of active particles might share certain equilibrium features, in particular in
the steady state. We here focus on the time-reversal symmetry of individual spatial
trajectories as a distinct equilibrium characteristic. We investigate to what
extent the steady-state trajectories of a trapped active particle obey or break
this time-reversal symmetry. Within the framework of active Ornstein–Uhlenbeck
particles we find that the steady-state trajectories in a harmonic potential fulfill
path-wise time-reversal symmetry exactly, while this symmetry is typically broken
in anharmonic potentials."
article_number: '033216'
author:
- first_name: Lennart
full_name: Dabelow, Lennart
last_name: Dabelow
- first_name: Stefano
full_name: Bo, Stefano
last_name: Bo
- first_name: Ralf
full_name: Eichhorn, Ralf
last_name: Eichhorn
citation:
ama: 'Dabelow L, Bo S, Eichhorn R. How irreversible are steady-state trajectories
of a trapped active particle? Journal of Statistical Mechanics: Theory and
Experiment. 2021;2021(3). doi:10.1088/1742-5468/abe6fd'
apa: 'Dabelow, L., Bo, S., & Eichhorn, R. (2021). How irreversible are steady-state
trajectories of a trapped active particle? Journal of Statistical Mechanics:
Theory and Experiment, 2021(3), Article 033216. https://doi.org/10.1088/1742-5468/abe6fd'
bibtex: '@article{Dabelow_Bo_Eichhorn_2021, title={How irreversible are steady-state
trajectories of a trapped active particle?}, volume={2021}, DOI={10.1088/1742-5468/abe6fd},
number={3033216}, journal={Journal of Statistical Mechanics: Theory and Experiment},
publisher={IOP Publishing}, author={Dabelow, Lennart and Bo, Stefano and Eichhorn,
Ralf}, year={2021} }'
chicago: 'Dabelow, Lennart, Stefano Bo, and Ralf Eichhorn. “How Irreversible Are
Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical
Mechanics: Theory and Experiment 2021, no. 3 (2021). https://doi.org/10.1088/1742-5468/abe6fd.'
ieee: 'L. Dabelow, S. Bo, and R. Eichhorn, “How irreversible are steady-state trajectories
of a trapped active particle?,” Journal of Statistical Mechanics: Theory and
Experiment, vol. 2021, no. 3, Art. no. 033216, 2021, doi: 10.1088/1742-5468/abe6fd.'
mla: 'Dabelow, Lennart, et al. “How Irreversible Are Steady-State Trajectories of
a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment,
vol. 2021, no. 3, 033216, IOP Publishing, 2021, doi:10.1088/1742-5468/abe6fd.'
short: 'L. Dabelow, S. Bo, R. Eichhorn, Journal of Statistical Mechanics: Theory
and Experiment 2021 (2021).'
date_created: 2022-06-28T07:27:41Z
date_updated: 2022-06-28T07:28:14Z
department:
- _id: '27'
doi: 10.1088/1742-5468/abe6fd
intvolume: ' 2021'
issue: '3'
keyword:
- Statistics
- Probability and Uncertainty
- Statistics and Probability
- Statistical and Nonlinear Physics
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 'Journal of Statistical Mechanics: Theory and Experiment'
publication_identifier:
issn:
- 1742-5468
publication_status: published
publisher: IOP Publishing
status: public
title: How irreversible are steady-state trajectories of a trapped active particle?
type: journal_article
user_id: '15278'
volume: 2021
year: '2021'
...
---
_id: '32244'
abstract:
- lang: eng
text: "We push the boundaries of electronic structure-based \\textit{ab-initio}\r\nmolecular
dynamics (AIMD) beyond 100 million atoms. This scale is otherwise\r\nbarely reachable
with classical force-field methods or novel neural network and\r\nmachine learning
potentials. We achieve this breakthrough by combining\r\ninnovations in linear-scaling
AIMD, efficient and approximate sparse linear\r\nalgebra, low and mixed-precision
floating-point computation on GPUs, and a\r\ncompensation scheme for the errors
introduced by numerical approximations. The\r\ncore of our work is the non-orthogonalized
local submatrix method (NOLSM),\r\nwhich scales very favorably to massively parallel
computing systems and\r\ntranslates large sparse matrix operations into highly
parallel, dense matrix\r\noperations that are ideally suited to hardware accelerators.
We demonstrate\r\nthat the NOLSM method, which is at the center point of each
AIMD step, is able\r\nto achieve a sustained performance of 324 PFLOP/s in mixed
FP16/FP32 precision\r\ncorresponding to an efficiency of 67.7% when running on
1536 NVIDIA A100 GPUs."
author:
- first_name: Robert
full_name: Schade, Robert
last_name: Schade
- first_name: Tobias
full_name: Kenter, Tobias
last_name: Kenter
- first_name: Hossam
full_name: Elgabarty, Hossam
last_name: Elgabarty
- first_name: Michael
full_name: Lass, Michael
last_name: Lass
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Alfio
full_name: Lazzaro, Alfio
last_name: Lazzaro
- first_name: Hans
full_name: Pabst, Hans
last_name: Pabst
- first_name: Stephan
full_name: Mohr, Stephan
last_name: Mohr
- first_name: Jürg
full_name: Hutter, Jürg
last_name: Hutter
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
last_name: Plessl
citation:
ama: Schade R, Kenter T, Elgabarty H, et al. Towards Electronic Structure-Based
Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.
arXiv:210408245. Published online 2021.
apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst,
H., Mohr, S., Hutter, J., Kühne, T. D., & Plessl, C. (2021). Towards Electronic
Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions
of Atoms. In arXiv:2104.08245.
bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et
al._2021, title={Towards Electronic Structure-Based Ab-Initio Molecular Dynamics
Simulations with Hundreds of Millions of Atoms}, journal={arXiv:2104.08245}, author={Schade,
Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt,
Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and
Kühne, Thomas D. and et al.}, year={2021} }'
chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt,
Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio
Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245,
2021.
ieee: R. Schade et al., “Towards Electronic Structure-Based Ab-Initio Molecular
Dynamics Simulations with Hundreds of Millions of Atoms,” arXiv:2104.08245.
2021.
mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular
Dynamics Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245,
2021.
short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst,
S. Mohr, J. Hutter, T.D. Kühne, C. Plessl, ArXiv:2104.08245 (2021).
date_created: 2022-06-28T07:48:31Z
date_updated: 2022-06-28T07:49:31Z
department:
- _id: '27'
external_id:
arxiv:
- '2104.08245'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2104.08245
status: public
title: Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations
with Hundreds of Millions of Atoms
type: preprint
user_id: '15278'
year: '2021'
...
---
_id: '32245'
abstract:
- lang: eng
text: "Optical travelling wave antennas offer unique opportunities to control and\r\nselectively
guide light into a specific direction which renders them as\r\nexcellent candidates
for optical communication and sensing. These applications\r\nrequire state of
the art engineering to reach optimized functionalities such as\r\nhigh directivity
and radiation efficiency, low side lobe level, broadband and\r\ntunable capabilities,
and compact design. In this work we report on the\r\nnumerical optimization of
the directivity of optical travelling wave antennas\r\nmade from low-loss dielectric
materials using full-wave numerical simulations\r\nin conjunction with a particle
swarm optimization algorithm. The antennas are\r\ncomposed of a reflector and
a director deposited on a glass substrate and an\r\nemitter placed in the feed
gap between them serves as an internal source of\r\nexcitation. In particular,
we analysed antennas with rectangular- and\r\nhorn-shaped directors made of either
Hafnium dioxide or Silicon. The optimized\r\nantennas produce highly directional
emission due to the presence of two\r\ndominant guided TE modes in the director
in addition to leaky modes. These\r\nguided modes dominate the far-field emission
pattern and govern the direction\r\nof the main lobe emission which predominately
originates from the end facet of\r\nthe director. Our work also provides a comprehensive
analysis of the modes,\r\nradiation patterns, parametric influences, and bandwidths
of the antennas that\r\nhighlights their robust nature."
author:
- first_name: Henna
full_name: Farheen, Henna
last_name: Farheen
- first_name: Till
full_name: Leuteritz, Till
last_name: Leuteritz
- first_name: Stefan
full_name: Linden, Stefan
last_name: Linden
- first_name: Viktor
full_name: Myroshnychenko, Viktor
last_name: Myroshnychenko
- first_name: Jens
full_name: Förstner, Jens
last_name: Förstner
citation:
ama: Farheen H, Leuteritz T, Linden S, Myroshnychenko V, Förstner J. Optimization
of optical waveguide antennas for directive emission of light. arXiv:210602468.
Published online 2021.
apa: Farheen, H., Leuteritz, T., Linden, S., Myroshnychenko, V., & Förstner,
J. (2021). Optimization of optical waveguide antennas for directive emission of
light. In arXiv:2106.02468.
bibtex: '@article{Farheen_Leuteritz_Linden_Myroshnychenko_Förstner_2021, title={Optimization
of optical waveguide antennas for directive emission of light}, journal={arXiv:2106.02468},
author={Farheen, Henna and Leuteritz, Till and Linden, Stefan and Myroshnychenko,
Viktor and Förstner, Jens}, year={2021} }'
chicago: Farheen, Henna, Till Leuteritz, Stefan Linden, Viktor Myroshnychenko, and
Jens Förstner. “Optimization of Optical Waveguide Antennas for Directive Emission
of Light.” ArXiv:2106.02468, 2021.
ieee: H. Farheen, T. Leuteritz, S. Linden, V. Myroshnychenko, and J. Förstner, “Optimization
of optical waveguide antennas for directive emission of light,” arXiv:2106.02468.
2021.
mla: Farheen, Henna, et al. “Optimization of Optical Waveguide Antennas for Directive
Emission of Light.” ArXiv:2106.02468, 2021.
short: H. Farheen, T. Leuteritz, S. Linden, V. Myroshnychenko, J. Förstner, ArXiv:2106.02468
(2021).
date_created: 2022-06-28T08:01:09Z
date_updated: 2022-06-28T08:01:39Z
department:
- _id: '27'
external_id:
arxiv:
- '2106.02468'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2106.02468
status: public
title: Optimization of optical waveguide antennas for directive emission of light
type: preprint
user_id: '15278'
year: '2021'
...
---
_id: '32236'
abstract:
- lang: eng
text: "The interaction between quantum light and matter is being intensively studied\r\nfor
systems that are enclosed in high-$Q$ cavities which strongly enhance the\r\nlight-matter
coupling. However, for many applications, cavities with lower\r\n$Q$-factors are
preferred due to the increased spectral width of the cavity\r\nmode. Here, we
investigate the interaction between quantum light and matter\r\nrepresented by
a $\\Lambda$-type three-level system in lossy cavities, assuming\r\nthat cavity
losses are the dominant loss mechanism. We demonstrate that cavity\r\nlosses lead
to non-trivial steady states of the electronic occupations that can\r\nbe controlled
by the loss rate and the initial statistics of the quantum\r\nfields. The mechanism
of formation of such steady states can be understood on\r\nthe basis of the equations
of motion. Analytical expressions for steady states\r\nand their numerical simulations
are presented and discussed."
author:
- first_name: H.
full_name: Rose, H.
last_name: Rose
- first_name: O. V.
full_name: Tikhonova, O. V.
last_name: Tikhonova
- first_name: T.
full_name: Meier, T.
last_name: Meier
- first_name: 'P. '
full_name: 'Sharapova, P. '
last_name: Sharapova
citation:
ama: Rose H, Tikhonova OV, Meier T, Sharapova P. Steady states of $Λ$-type three-level
systems excited by quantum light in lossy cavities. arXiv:210900842. Published
online 2021.
apa: Rose, H., Tikhonova, O. V., Meier, T., & Sharapova, P. (2021). Steady states
of $Λ$-type three-level systems excited by quantum light in lossy cavities. In
arXiv:2109.00842.
bibtex: '@article{Rose_Tikhonova_Meier_Sharapova_2021, title={Steady states of $Λ$-type
three-level systems excited by quantum light in lossy cavities}, journal={arXiv:2109.00842},
author={Rose, H. and Tikhonova, O. V. and Meier, T. and Sharapova, P. }, year={2021}
}'
chicago: Rose, H., O. V. Tikhonova, T. Meier, and P. Sharapova. “Steady States
of $Λ$-Type Three-Level Systems Excited by Quantum Light in Lossy Cavities.”
ArXiv:2109.00842, 2021.
ieee: H. Rose, O. V. Tikhonova, T. Meier, and P. Sharapova, “Steady states of $Λ$-type
three-level systems excited by quantum light in lossy cavities,” arXiv:2109.00842.
2021.
mla: Rose, H., et al. “Steady States of $Λ$-Type Three-Level Systems Excited by
Quantum Light in Lossy Cavities.” ArXiv:2109.00842, 2021.
short: H. Rose, O.V. Tikhonova, T. Meier, P. Sharapova, ArXiv:2109.00842 (2021).
date_created: 2022-06-28T07:03:29Z
date_updated: 2023-02-10T16:00:12Z
department:
- _id: '27'
external_id:
arxiv:
- '2109.00842'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2109.00842
status: public
title: Steady states of $Λ$-type three-level systems excited by quantum light in
lossy cavities
type: preprint
user_id: '14931'
year: '2021'
...
---
_id: '46122'
article_number: '094518'
author:
- first_name: Olaf
full_name: Kaczmarek, Olaf
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Sayantan
full_name: Sharma, Sayantan
last_name: Sharma
citation:
ama: Kaczmarek O, Mazur L, Sharma S. Eigenvalue spectra of QCD and the fate of <mml:math
xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit. Physical Review D. 2021;104(9). doi:10.1103/physrevd.104.094518
apa: Kaczmarek, O., Mazur, L., & Sharma, S. (2021). Eigenvalue spectra of QCD
and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit. Physical Review D, 104(9), Article 094518. https://doi.org/10.1103/physrevd.104.094518
bibtex: '@article{Kaczmarek_Mazur_Sharma_2021, title={Eigenvalue spectra of QCD
and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit}, volume={104}, DOI={10.1103/physrevd.104.094518},
number={9094518}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Kaczmarek, Olaf and Mazur, Lukas and Sharma, Sayantan}, year={2021}
}'
chicago: Kaczmarek, Olaf, Lukas Mazur, and Sayantan Sharma. “Eigenvalue Spectra
of QCD and the Fate of <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"
Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo
Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo
Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the
Chiral Limit.” Physical Review D 104, no. 9 (2021). https://doi.org/10.1103/physrevd.104.094518.
ieee: 'O. Kaczmarek, L. Mazur, and S. Sharma, “Eigenvalue spectra of QCD and the
fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit,” Physical Review D, vol. 104, no. 9, Art. no. 094518, 2021,
doi: 10.1103/physrevd.104.094518.'
mla: Kaczmarek, Olaf, et al. “Eigenvalue Spectra of QCD and the Fate of <mml:Math
Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo
Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo
Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the
Chiral Limit.” Physical Review D, vol. 104, no. 9, 094518, American Physical
Society (APS), 2021, doi:10.1103/physrevd.104.094518.
short: O. Kaczmarek, L. Mazur, S. Sharma, Physical Review D 104 (2021).
date_created: 2023-07-24T11:03:06Z
date_updated: 2023-07-26T09:23:02Z
department:
- _id: '27'
doi: 10.1103/physrevd.104.094518
extern: '1'
intvolume: ' 104'
issue: '9'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Eigenvalue spectra of QCD and the fate of UA(1)
breaking towards the chiral limit
type: journal_article
user_id: '90492'
volume: 104
year: '2021'
...
---
_id: '46124'
article_number: '014511'
author:
- first_name: Luis
full_name: Altenkort, Luis
last_name: Altenkort
- first_name: Alexander M.
full_name: Eller, Alexander M.
last_name: Eller
- first_name: O.
full_name: Kaczmarek, O.
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Guy D.
full_name: Moore, Guy D.
last_name: Moore
- first_name: H.-T.
full_name: Shu, H.-T.
last_name: Shu
citation:
ama: Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Heavy quark
momentum diffusion from the lattice using gradient flow. Physical Review D.
2021;103(1). doi:10.1103/physrevd.103.014511
apa: Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &
Shu, H.-T. (2021). Heavy quark momentum diffusion from the lattice using gradient
flow. Physical Review D, 103(1), Article 014511. https://doi.org/10.1103/physrevd.103.014511
bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Heavy quark
momentum diffusion from the lattice using gradient flow}, volume={103}, DOI={10.1103/physrevd.103.014511},
number={1014511}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and
Mazur, Lukas and Moore, Guy D. and Shu, H.-T.}, year={2021} }'
chicago: Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D.
Moore, and H.-T. Shu. “Heavy Quark Momentum Diffusion from the Lattice Using Gradient
Flow.” Physical Review D 103, no. 1 (2021). https://doi.org/10.1103/physrevd.103.014511.
ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T.
Shu, “Heavy quark momentum diffusion from the lattice using gradient flow,” Physical
Review D, vol. 103, no. 1, Art. no. 014511, 2021, doi: 10.1103/physrevd.103.014511.'
mla: Altenkort, Luis, et al. “Heavy Quark Momentum Diffusion from the Lattice Using
Gradient Flow.” Physical Review D, vol. 103, no. 1, 014511, American Physical
Society (APS), 2021, doi:10.1103/physrevd.103.014511.
short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu,
Physical Review D 103 (2021).
date_created: 2023-07-24T11:05:25Z
date_updated: 2023-07-26T09:22:09Z
department:
- _id: '27'
doi: 10.1103/physrevd.103.014511
extern: '1'
intvolume: ' 103'
issue: '1'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Heavy quark momentum diffusion from the lattice using gradient flow
type: journal_article
user_id: '90492'
volume: 103
year: '2021'
...
---
_id: '46123'
article_number: '114513'
author:
- first_name: Luis
full_name: Altenkort, Luis
last_name: Altenkort
- first_name: Alexander M.
full_name: Eller, Alexander M.
last_name: Eller
- first_name: O.
full_name: Kaczmarek, O.
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Guy D.
full_name: Moore, Guy D.
last_name: Moore
- first_name: H.-T.
full_name: Shu, H.-T.
last_name: Shu
citation:
ama: 'Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Sphaleron
rate from Euclidean lattice correlators: An exploration. Physical Review D.
2021;103(11). doi:10.1103/physrevd.103.114513'
apa: 'Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &
Shu, H.-T. (2021). Sphaleron rate from Euclidean lattice correlators: An exploration.
Physical Review D, 103(11), Article 114513. https://doi.org/10.1103/physrevd.103.114513'
bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Sphaleron
rate from Euclidean lattice correlators: An exploration}, volume={103}, DOI={10.1103/physrevd.103.114513},
number={11114513}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and
Mazur, Lukas and Moore, Guy D. and Shu, H.-T.}, year={2021} }'
chicago: 'Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D.
Moore, and H.-T. Shu. “Sphaleron Rate from Euclidean Lattice Correlators: An Exploration.”
Physical Review D 103, no. 11 (2021). https://doi.org/10.1103/physrevd.103.114513.'
ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T.
Shu, “Sphaleron rate from Euclidean lattice correlators: An exploration,” Physical
Review D, vol. 103, no. 11, Art. no. 114513, 2021, doi: 10.1103/physrevd.103.114513.'
mla: 'Altenkort, Luis, et al. “Sphaleron Rate from Euclidean Lattice Correlators:
An Exploration.” Physical Review D, vol. 103, no. 11, 114513, American
Physical Society (APS), 2021, doi:10.1103/physrevd.103.114513.'
short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu,
Physical Review D 103 (2021).
date_created: 2023-07-24T11:04:17Z
date_updated: 2023-07-26T09:22:46Z
department:
- _id: '27'
doi: 10.1103/physrevd.103.114513
extern: '1'
intvolume: ' 103'
issue: '11'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: 'Sphaleron rate from Euclidean lattice correlators: An exploration'
type: journal_article
user_id: '90492'
volume: 103
year: '2021'
...
---
_id: '46194'
author:
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Adesh
full_name: Shambhu, Adesh
last_name: Shambhu
- first_name: Sara
full_name: Faghih-Naini, Sara
last_name: Faghih-Naini
- first_name: Vadym
full_name: Aizinger, Vadym
last_name: Aizinger
citation:
ama: 'Kenter T, Shambhu A, Faghih-Naini S, Aizinger V. Algorithm-hardware co-design
of a discontinuous Galerkin shallow-water model for a dataflow architecture on
FPGA. In: Proceedings of the Platform for Advanced Scientific Computing Conference.
ACM; 2021. doi:10.1145/3468267.3470617'
apa: Kenter, T., Shambhu, A., Faghih-Naini, S., & Aizinger, V. (2021). Algorithm-hardware
co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture
on FPGA. Proceedings of the Platform for Advanced Scientific Computing Conference.
https://doi.org/10.1145/3468267.3470617
bibtex: '@inproceedings{Kenter_Shambhu_Faghih-Naini_Aizinger_2021, title={Algorithm-hardware
co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture
on FPGA}, DOI={10.1145/3468267.3470617},
booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference},
publisher={ACM}, author={Kenter, Tobias and Shambhu, Adesh and Faghih-Naini, Sara
and Aizinger, Vadym}, year={2021} }'
chicago: Kenter, Tobias, Adesh Shambhu, Sara Faghih-Naini, and Vadym Aizinger. “Algorithm-Hardware
Co-Design of a Discontinuous Galerkin Shallow-Water Model for a Dataflow Architecture
on FPGA.” In Proceedings of the Platform for Advanced Scientific Computing
Conference. ACM, 2021. https://doi.org/10.1145/3468267.3470617.
ieee: 'T. Kenter, A. Shambhu, S. Faghih-Naini, and V. Aizinger, “Algorithm-hardware
co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture
on FPGA,” 2021, doi: 10.1145/3468267.3470617.'
mla: Kenter, Tobias, et al. “Algorithm-Hardware Co-Design of a Discontinuous Galerkin
Shallow-Water Model for a Dataflow Architecture on FPGA.” Proceedings of the
Platform for Advanced Scientific Computing Conference, ACM, 2021, doi:10.1145/3468267.3470617.
short: 'T. Kenter, A. Shambhu, S. Faghih-Naini, V. Aizinger, in: Proceedings of
the Platform for Advanced Scientific Computing Conference, ACM, 2021.'
date_created: 2023-07-28T11:58:14Z
date_updated: 2023-07-28T12:03:19Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3468267.3470617
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/pdf/10.1145/3468267.3470617
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the Platform for Advanced Scientific Computing Conference
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model
for a dataflow architecture on FPGA
type: conference
user_id: '3145'
year: '2021'
...
---
_id: '46195'
author:
- first_name: Martin
full_name: Karp, Martin
last_name: Karp
- first_name: Artur
full_name: Podobas, Artur
last_name: Podobas
- first_name: Niclas
full_name: Jansson, Niclas
last_name: Jansson
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Philipp
full_name: Schlatter, Philipp
last_name: Schlatter
- first_name: Stefano
full_name: Markidis, Stefano
last_name: Markidis
citation:
ama: 'Karp M, Podobas A, Jansson N, et al. High-Performance Spectral Element Methods
on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.
In: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS).
IEEE; 2021. doi:10.1109/ipdps49936.2021.00116'
apa: 'Karp, M., Podobas, A., Jansson, N., Kenter, T., Plessl, C., Schlatter, P.,
& Markidis, S. (2021). High-Performance Spectral Element Methods on Field-Programmable
Gate Arrays : Implementation, Evaluation, and Future Projection. 2021 IEEE
International Parallel and Distributed Processing Symposium (IPDPS). https://doi.org/10.1109/ipdps49936.2021.00116'
bibtex: '@inproceedings{Karp_Podobas_Jansson_Kenter_Plessl_Schlatter_Markidis_2021,
title={High-Performance Spectral Element Methods on Field-Programmable Gate Arrays :
Implementation, Evaluation, and Future Projection}, DOI={10.1109/ipdps49936.2021.00116},
booktitle={2021 IEEE International Parallel and Distributed Processing Symposium
(IPDPS)}, publisher={IEEE}, author={Karp, Martin and Podobas, Artur and Jansson,
Niclas and Kenter, Tobias and Plessl, Christian and Schlatter, Philipp and Markidis,
Stefano}, year={2021} }'
chicago: 'Karp, Martin, Artur Podobas, Niclas Jansson, Tobias Kenter, Christian
Plessl, Philipp Schlatter, and Stefano Markidis. “High-Performance Spectral Element
Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future
Projection.” In 2021 IEEE International Parallel and Distributed Processing
Symposium (IPDPS). IEEE, 2021. https://doi.org/10.1109/ipdps49936.2021.00116.'
ieee: 'M. Karp et al., “High-Performance Spectral Element Methods on Field-Programmable
Gate Arrays : Implementation, Evaluation, and Future Projection,” 2021, doi: 10.1109/ipdps49936.2021.00116.'
mla: 'Karp, Martin, et al. “High-Performance Spectral Element Methods on Field-Programmable
Gate Arrays : Implementation, Evaluation, and Future Projection.” 2021 IEEE
International Parallel and Distributed Processing Symposium (IPDPS), IEEE,
2021, doi:10.1109/ipdps49936.2021.00116.'
short: 'M. Karp, A. Podobas, N. Jansson, T. Kenter, C. Plessl, P. Schlatter, S.
Markidis, in: 2021 IEEE International Parallel and Distributed Processing Symposium
(IPDPS), IEEE, 2021.'
date_created: 2023-07-28T12:04:27Z
date_updated: 2023-07-28T12:05:15Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/ipdps49936.2021.00116
language:
- iso: eng
publication: 2021 IEEE International Parallel and Distributed Processing Symposium
(IPDPS)
publication_status: published
publisher: IEEE
quality_controlled: '1'
status: public
title: 'High-Performance Spectral Element Methods on Field-Programmable Gate Arrays
: Implementation, Evaluation, and Future Projection'
type: conference
user_id: '3145'
year: '2021'
...
---
_id: '21587'
abstract:
- lang: eng
text: Solving partial differential equations on unstructured grids is a cornerstone
of engineering and scientific computing. Nowadays, heterogeneous parallel platforms
with CPUs, GPUs, and FPGAs enable energy-efficient and computationally demanding
simulations. We developed the HighPerMeshes C++-embedded Domain-Specific Language
(DSL) for bridging the abstraction gap between the mathematical and algorithmic
formulation of mesh-based algorithms for PDE problems on the one hand and an increasing
number of heterogeneous platforms with their different parallel programming and
runtime models on the other hand. Thus, the HighPerMeshes DSL aims at higher productivity
in the code development process for multiple target platforms. We introduce the
concepts as well as the basic structure of the HighPerMeshes DSL, and demonstrate
its usage with three examples, a Poisson and monodomain problem, respectively,
solved by the continuous finite element method, and the discontinuous Galerkin
method for Maxwell’s equation. The mapping of the abstract algorithmic description
onto parallel hardware, including distributed memory compute clusters, is presented.
Finally, the achievable performance and scalability are demonstrated for a typical
example problem on a multi-core CPU cluster.
author:
- first_name: Samer
full_name: Alhaddad, Samer
id: '42456'
last_name: Alhaddad
- first_name: Jens
full_name: Förstner, Jens
id: '158'
last_name: Förstner
orcid: 0000-0001-7059-9862
- first_name: Stefan
full_name: Groth, Stefan
last_name: Groth
- first_name: Daniel
full_name: Grünewald, Daniel
last_name: Grünewald
- first_name: Yevgen
full_name: Grynko, Yevgen
id: '26059'
last_name: Grynko
- first_name: Frank
full_name: Hannig, Frank
last_name: Hannig
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Franz-Josef
full_name: Pfreundt, Franz-Josef
last_name: Pfreundt
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Merlind
full_name: Schotte, Merlind
last_name: Schotte
- first_name: Thomas
full_name: Steinke, Thomas
last_name: Steinke
- first_name: Jürgen
full_name: Teich, Jürgen
last_name: Teich
- first_name: Martin
full_name: Weiser, Martin
last_name: Weiser
- first_name: Florian
full_name: Wende, Florian
last_name: Wende
citation:
ama: 'Alhaddad S, Förstner J, Groth S, et al. HighPerMeshes – A Domain-Specific
Language for Numerical Algorithms on Unstructured Grids. In: Euro-Par 2020:
Parallel Processing Workshops. ; 2021. doi:10.1007/978-3-030-71593-9_15'
apa: 'Alhaddad, S., Förstner, J., Groth, S., Grünewald, D., Grynko, Y., Hannig,
F., Kenter, T., Pfreundt, F.-J., Plessl, C., Schotte, M., Steinke, T., Teich,
J., Weiser, M., & Wende, F. (2021). HighPerMeshes – A Domain-Specific Language
for Numerical Algorithms on Unstructured Grids. In Euro-Par 2020: Parallel
Processing Workshops. https://doi.org/10.1007/978-3-030-71593-9_15'
bibtex: '@inbook{Alhaddad_Förstner_Groth_Grünewald_Grynko_Hannig_Kenter_Pfreundt_Plessl_Schotte_et
al._2021, place={Cham}, title={HighPerMeshes – A Domain-Specific Language for
Numerical Algorithms on Unstructured Grids}, DOI={10.1007/978-3-030-71593-9_15},
booktitle={Euro-Par 2020: Parallel Processing Workshops}, author={Alhaddad, Samer
and Förstner, Jens and Groth, Stefan and Grünewald, Daniel and Grynko, Yevgen
and Hannig, Frank and Kenter, Tobias and Pfreundt, Franz-Josef and Plessl, Christian
and Schotte, Merlind and et al.}, year={2021} }'
chicago: 'Alhaddad, Samer, Jens Förstner, Stefan Groth, Daniel Grünewald, Yevgen
Grynko, Frank Hannig, Tobias Kenter, et al. “HighPerMeshes – A Domain-Specific
Language for Numerical Algorithms on Unstructured Grids.” In Euro-Par 2020:
Parallel Processing Workshops. Cham, 2021. https://doi.org/10.1007/978-3-030-71593-9_15.'
ieee: 'S. Alhaddad et al., “HighPerMeshes – A Domain-Specific Language for
Numerical Algorithms on Unstructured Grids,” in Euro-Par 2020: Parallel Processing
Workshops, Cham, 2021.'
mla: 'Alhaddad, Samer, et al. “HighPerMeshes – A Domain-Specific Language for Numerical
Algorithms on Unstructured Grids.” Euro-Par 2020: Parallel Processing Workshops,
2021, doi:10.1007/978-3-030-71593-9_15.'
short: 'S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig,
T. Kenter, F.-J. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser,
F. Wende, in: Euro-Par 2020: Parallel Processing Workshops, Cham, 2021.'
date_created: 2021-03-31T19:39:42Z
date_updated: 2023-09-26T11:40:25Z
ddc:
- '004'
department:
- _id: '61'
- _id: '230'
- _id: '429'
- _id: '27'
- _id: '518'
doi: 10.1007/978-3-030-71593-9_15
file:
- access_level: closed
content_type: application/pdf
creator: fossie
date_created: 2021-03-31T19:42:52Z
date_updated: 2021-03-31T19:42:52Z
file_id: '21588'
file_name: 2021-03 Alhaddad2021_Chapter_HighPerMeshesADomain-SpecificL.pdf
file_size: 564398
relation: main_file
success: 1
file_date_updated: 2021-03-31T19:42:52Z
has_accepted_license: '1'
keyword:
- tet_topic_hpc
language:
- iso: eng
place: Cham
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Euro-Par 2020: Parallel Processing Workshops'
publication_identifier:
isbn:
- '9783030715922'
- '9783030715939'
issn:
- 0302-9743
- 1611-3349
publication_status: published
quality_controlled: '1'
status: public
title: HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured
Grids
type: book_chapter
user_id: '15278'
year: '2021'
...
---
_id: '29936'
author:
- first_name: Arjun
full_name: Ramaswami, Arjun
id: '49171'
last_name: Ramaswami
orcid: https://orcid.org/0000-0002-0909-1178
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: 'Ramaswami A, Kenter T, Kühne T, Plessl C. Evaluating the Design Space for
Offloading 3D FFT Calculations to an FPGA for High-Performance Computing. In:
Applied Reconfigurable Computing. Architectures, Tools, and Applications.
Springer International Publishing; 2021. doi:10.1007/978-3-030-79025-7_21'
apa: Ramaswami, A., Kenter, T., Kühne, T., & Plessl, C. (2021). Evaluating the
Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance
Computing. In Applied Reconfigurable Computing. Architectures, Tools, and Applications.
Int. Conf. on Applied Reconfigurable Computing. Architectures, Tools, and Applications.
Springer International Publishing. https://doi.org/10.1007/978-3-030-79025-7_21
bibtex: '@inbook{Ramaswami_Kenter_Kühne_Plessl_2021, place={Cham}, title={Evaluating
the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance
Computing}, DOI={10.1007/978-3-030-79025-7_21},
booktitle={Applied Reconfigurable Computing. Architectures, Tools, and Applications},
publisher={Springer International Publishing}, author={Ramaswami, Arjun and Kenter,
Tobias and Kühne, Thomas and Plessl, Christian}, year={2021} }'
chicago: 'Ramaswami, Arjun, Tobias Kenter, Thomas Kühne, and Christian Plessl. “Evaluating
the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance
Computing.” In Applied Reconfigurable Computing. Architectures, Tools, and
Applications. Cham: Springer International Publishing, 2021. https://doi.org/10.1007/978-3-030-79025-7_21.'
ieee: 'A. Ramaswami, T. Kenter, T. Kühne, and C. Plessl, “Evaluating the Design
Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing,”
in Applied Reconfigurable Computing. Architectures, Tools, and Applications,
Cham: Springer International Publishing, 2021.'
mla: Ramaswami, Arjun, et al. “Evaluating the Design Space for Offloading 3D FFT
Calculations to an FPGA for High-Performance Computing.” Applied Reconfigurable
Computing. Architectures, Tools, and Applications, Springer International
Publishing, 2021, doi:10.1007/978-3-030-79025-7_21.
short: 'A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable
Computing. Architectures, Tools, and Applications, Springer International Publishing,
Cham, 2021.'
conference:
name: Int. Conf. on Applied Reconfigurable Computing. Architectures, Tools, and
Applications
date_created: 2022-02-21T14:22:01Z
date_updated: 2023-09-26T11:40:45Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.1007/978-3-030-79025-7_21
language:
- iso: eng
place: Cham
publication: Applied Reconfigurable Computing. Architectures, Tools, and Applications
publication_identifier:
isbn:
- '9783030790240'
- '9783030790257'
issn:
- 0302-9743
- 1611-3349
publication_status: published
publisher: Springer International Publishing
quality_controlled: '1'
status: public
title: Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for
High-Performance Computing
type: book_chapter
user_id: '15278'
year: '2021'
...
---
_id: '24788'
author:
- first_name: Samer
full_name: Alhaddad, Samer
id: '42456'
last_name: Alhaddad
- first_name: Jens
full_name: Förstner, Jens
id: '158'
last_name: Förstner
orcid: 0000-0001-7059-9862
- first_name: Stefan
full_name: Groth, Stefan
last_name: Groth
- first_name: Daniel
full_name: Grünewald, Daniel
last_name: Grünewald
- first_name: Yevgen
full_name: Grynko, Yevgen
id: '26059'
last_name: Grynko
- first_name: Frank
full_name: Hannig, Frank
last_name: Hannig
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Franz‐Josef
full_name: Pfreundt, Franz‐Josef
last_name: Pfreundt
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Merlind
full_name: Schotte, Merlind
last_name: Schotte
- first_name: Thomas
full_name: Steinke, Thomas
last_name: Steinke
- first_name: Jürgen
full_name: Teich, Jürgen
last_name: Teich
- first_name: Martin
full_name: Weiser, Martin
last_name: Weiser
- first_name: Florian
full_name: Wende, Florian
last_name: Wende
citation:
ama: 'Alhaddad S, Förstner J, Groth S, et al. The HighPerMeshes framework for numerical
algorithms on unstructured grids. Concurrency and Computation: Practice and
Experience. Published online 2021:e6616. doi:10.1002/cpe.6616'
apa: 'Alhaddad, S., Förstner, J., Groth, S., Grünewald, D., Grynko, Y., Hannig,
F., Kenter, T., Pfreundt, F., Plessl, C., Schotte, M., Steinke, T., Teich, J.,
Weiser, M., & Wende, F. (2021). The HighPerMeshes framework for numerical
algorithms on unstructured grids. Concurrency and Computation: Practice and
Experience, e6616. https://doi.org/10.1002/cpe.6616'
bibtex: '@article{Alhaddad_Förstner_Groth_Grünewald_Grynko_Hannig_Kenter_Pfreundt_Plessl_Schotte_et
al._2021, title={The HighPerMeshes framework for numerical algorithms on unstructured
grids}, DOI={10.1002/cpe.6616},
journal={Concurrency and Computation: Practice and Experience}, author={Alhaddad,
Samer and Förstner, Jens and Groth, Stefan and Grünewald, Daniel and Grynko, Yevgen
and Hannig, Frank and Kenter, Tobias and Pfreundt, Franz‐Josef and Plessl, Christian
and Schotte, Merlind and et al.}, year={2021}, pages={e6616} }'
chicago: 'Alhaddad, Samer, Jens Förstner, Stefan Groth, Daniel Grünewald, Yevgen
Grynko, Frank Hannig, Tobias Kenter, et al. “The HighPerMeshes Framework for Numerical
Algorithms on Unstructured Grids.” Concurrency and Computation: Practice and
Experience, 2021, e6616. https://doi.org/10.1002/cpe.6616.'
ieee: 'S. Alhaddad et al., “The HighPerMeshes framework for numerical algorithms
on unstructured grids,” Concurrency and Computation: Practice and Experience,
p. e6616, 2021, doi: 10.1002/cpe.6616.'
mla: 'Alhaddad, Samer, et al. “The HighPerMeshes Framework for Numerical Algorithms
on Unstructured Grids.” Concurrency and Computation: Practice and Experience,
2021, p. e6616, doi:10.1002/cpe.6616.'
short: 'S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig,
T. Kenter, F. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser,
F. Wende, Concurrency and Computation: Practice and Experience (2021) e6616.'
date_created: 2021-09-22T06:15:50Z
date_updated: 2023-09-26T11:42:19Z
ddc:
- '004'
department:
- _id: '61'
- _id: '230'
- _id: '27'
- _id: '518'
doi: 10.1002/cpe.6616
file:
- access_level: open_access
content_type: application/pdf
creator: fossie
date_created: 2021-09-22T06:19:29Z
date_updated: 2021-09-22T06:19:29Z
file_id: '24789'
file_name: 2021-09 Alhaddad - Concurrency... - The HighPerMeshes framework for numerical
algorithms on unstructured grids.pdf
file_size: 2300152
relation: main_file
file_date_updated: 2021-09-22T06:19:29Z
has_accepted_license: '1'
keyword:
- tet_topic_hpc
language:
- iso: eng
oa: '1'
page: e6616
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '33'
grant_number: 01|H16005A
name: HighPerMeshes
publication: 'Concurrency and Computation: Practice and Experience'
publication_identifier:
issn:
- 1532-0626
- 1532-0634
publication_status: published
quality_controlled: '1'
status: public
title: The HighPerMeshes framework for numerical algorithms on unstructured grids
type: journal_article
user_id: '15278'
year: '2021'
...
---
_id: '32240'
abstract:
- lang: eng
text:
The effect of traces of ethanol in supercritical carbon dioxide on the
mixture's thermodynamic properties is studied by molecular simulations and Taylor
dispersion measurements.
author:
- first_name: René Spencer
full_name: Chatwell, René Spencer
last_name: Chatwell
- first_name: Gabriela
full_name: Guevara-Carrion, Gabriela
last_name: Guevara-Carrion
- first_name: Yuri
full_name: Gaponenko, Yuri
last_name: Gaponenko
- first_name: Valentina
full_name: Shevtsova, Valentina
last_name: Shevtsova
- first_name: Jadran
full_name: Vrabec, Jadran
last_name: Vrabec
citation:
ama: Chatwell RS, Guevara-Carrion G, Gaponenko Y, Shevtsova V, Vrabec J. Diffusion
of the carbon dioxide–ethanol mixture in the extended critical region. Physical
Chemistry Chemical Physics. 2021;23(4):3106-3115. doi:10.1039/d0cp04985a
apa: Chatwell, R. S., Guevara-Carrion, G., Gaponenko, Y., Shevtsova, V., & Vrabec,
J. (2021). Diffusion of the carbon dioxide–ethanol mixture in the extended critical
region. Physical Chemistry Chemical Physics, 23(4), 3106–3115. https://doi.org/10.1039/d0cp04985a
bibtex: '@article{Chatwell_Guevara-Carrion_Gaponenko_Shevtsova_Vrabec_2021, title={Diffusion
of the carbon dioxide–ethanol mixture in the extended critical region}, volume={23},
DOI={10.1039/d0cp04985a}, number={4},
journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry
(RSC)}, author={Chatwell, René Spencer and Guevara-Carrion, Gabriela and Gaponenko,
Yuri and Shevtsova, Valentina and Vrabec, Jadran}, year={2021}, pages={3106–3115}
}'
chicago: 'Chatwell, René Spencer, Gabriela Guevara-Carrion, Yuri Gaponenko, Valentina
Shevtsova, and Jadran Vrabec. “Diffusion of the Carbon Dioxide–Ethanol Mixture
in the Extended Critical Region.” Physical Chemistry Chemical Physics 23,
no. 4 (2021): 3106–15. https://doi.org/10.1039/d0cp04985a.'
ieee: 'R. S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, and J. Vrabec,
“Diffusion of the carbon dioxide–ethanol mixture in the extended critical region,”
Physical Chemistry Chemical Physics, vol. 23, no. 4, pp. 3106–3115, 2021,
doi: 10.1039/d0cp04985a.'
mla: Chatwell, René Spencer, et al. “Diffusion of the Carbon Dioxide–Ethanol Mixture
in the Extended Critical Region.” Physical Chemistry Chemical Physics,
vol. 23, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 3106–15, doi:10.1039/d0cp04985a.
short: R.S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, J. Vrabec,
Physical Chemistry Chemical Physics 23 (2021) 3106–3115.
date_created: 2022-06-28T07:23:22Z
date_updated: 2023-09-27T10:24:39Z
department:
- _id: '27'
doi: 10.1039/d0cp04985a
intvolume: ' 23'
issue: '4'
keyword:
- Physical and Theoretical Chemistry
- General Physics and Astronomy
language:
- iso: eng
page: 3106-3115
publication: Physical Chemistry Chemical Physics
publication_identifier:
issn:
- 1463-9076
- 1463-9084
publication_status: published
publisher: Royal Society of Chemistry (RSC)
quality_controlled: '1'
status: public
title: Diffusion of the carbon dioxide–ethanol mixture in the extended critical region
type: journal_article
user_id: '15278'
volume: 23
year: '2021'
...
---
_id: '29937'
author:
- first_name: Martin
full_name: Karp, Martin
last_name: Karp
- first_name: Artur
full_name: Podobas, Artur
last_name: Podobas
- first_name: Niclas
full_name: Jansson, Niclas
last_name: Jansson
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Philipp
full_name: Schlatter, Philipp
last_name: Schlatter
- first_name: Stefano
full_name: Markidis, Stefano
last_name: Markidis
citation:
ama: 'Karp M, Podobas A, Jansson N, et al. High-Performance Spectral Element Methods
on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.
In: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS).
IEEE; 2021. doi:10.1109/ipdps49936.2021.00116'
apa: 'Karp, M., Podobas, A., Jansson, N., Kenter, T., Plessl, C., Schlatter, P.,
& Markidis, S. (2021). High-Performance Spectral Element Methods on Field-Programmable
Gate Arrays : Implementation, Evaluation, and Future Projection. 2021 IEEE
International Parallel and Distributed Processing Symposium (IPDPS). https://doi.org/10.1109/ipdps49936.2021.00116'
bibtex: '@inproceedings{Karp_Podobas_Jansson_Kenter_Plessl_Schlatter_Markidis_2021,
title={High-Performance Spectral Element Methods on Field-Programmable Gate Arrays :
Implementation, Evaluation, and Future Projection}, DOI={10.1109/ipdps49936.2021.00116},
booktitle={2021 IEEE International Parallel and Distributed Processing Symposium
(IPDPS)}, publisher={IEEE}, author={Karp, Martin and Podobas, Artur and Jansson,
Niclas and Kenter, Tobias and Plessl, Christian and Schlatter, Philipp and Markidis,
Stefano}, year={2021} }'
chicago: 'Karp, Martin, Artur Podobas, Niclas Jansson, Tobias Kenter, Christian
Plessl, Philipp Schlatter, and Stefano Markidis. “High-Performance Spectral Element
Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future
Projection.” In 2021 IEEE International Parallel and Distributed Processing
Symposium (IPDPS). IEEE, 2021. https://doi.org/10.1109/ipdps49936.2021.00116.'
ieee: 'M. Karp et al., “High-Performance Spectral Element Methods on Field-Programmable
Gate Arrays : Implementation, Evaluation, and Future Projection,” 2021, doi: 10.1109/ipdps49936.2021.00116.'
mla: 'Karp, Martin, et al. “High-Performance Spectral Element Methods on Field-Programmable
Gate Arrays : Implementation, Evaluation, and Future Projection.” 2021 IEEE
International Parallel and Distributed Processing Symposium (IPDPS), IEEE,
2021, doi:10.1109/ipdps49936.2021.00116.'
short: 'M. Karp, A. Podobas, N. Jansson, T. Kenter, C. Plessl, P. Schlatter, S.
Markidis, in: 2021 IEEE International Parallel and Distributed Processing Symposium
(IPDPS), IEEE, 2021.'
date_created: 2022-02-21T14:26:37Z
date_updated: 2024-01-22T09:59:13Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/ipdps49936.2021.00116
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 2021 IEEE International Parallel and Distributed Processing Symposium
(IPDPS)
publication_status: published
publisher: IEEE
quality_controlled: '1'
status: public
title: 'High-Performance Spectral Element Methods on Field-Programmable Gate Arrays
: Implementation, Evaluation, and Future Projection'
type: conference
user_id: '3145'
year: '2021'
...
---
_id: '18789'
author:
- first_name: Tobias
full_name: Nickchen, Tobias
last_name: Nickchen
- first_name: Gregor
full_name: Engels, Gregor
last_name: Engels
- first_name: Johannes
full_name: Lohn, Johannes
last_name: Lohn
citation:
ama: 'Nickchen T, Engels G, Lohn J. Opportunities of 3D Machine Learning for Manufacturability
Analysis and Component Recognition in the Additive Manufacturing Process Chain.
In: Industrializing Additive Manufacturing. Cham; 2020. doi:10.1007/978-3-030-54334-1_4'
apa: Nickchen, T., Engels, G., & Lohn, J. (2020). Opportunities of 3D Machine
Learning for Manufacturability Analysis and Component Recognition in the Additive
Manufacturing Process Chain. In Industrializing Additive Manufacturing.
Cham. https://doi.org/10.1007/978-3-030-54334-1_4
bibtex: '@inbook{Nickchen_Engels_Lohn_2020, place={Cham}, title={Opportunities of
3D Machine Learning for Manufacturability Analysis and Component Recognition in
the Additive Manufacturing Process Chain}, DOI={10.1007/978-3-030-54334-1_4},
booktitle={Industrializing Additive Manufacturing}, author={Nickchen, Tobias and
Engels, Gregor and Lohn, Johannes}, year={2020} }'
chicago: Nickchen, Tobias, Gregor Engels, and Johannes Lohn. “Opportunities of 3D
Machine Learning for Manufacturability Analysis and Component Recognition in the
Additive Manufacturing Process Chain.” In Industrializing Additive Manufacturing.
Cham, 2020. https://doi.org/10.1007/978-3-030-54334-1_4.
ieee: T. Nickchen, G. Engels, and J. Lohn, “Opportunities of 3D Machine Learning
for Manufacturability Analysis and Component Recognition in the Additive Manufacturing
Process Chain,” in Industrializing Additive Manufacturing, Cham, 2020.
mla: Nickchen, Tobias, et al. “Opportunities of 3D Machine Learning for Manufacturability
Analysis and Component Recognition in the Additive Manufacturing Process Chain.”
Industrializing Additive Manufacturing, 2020, doi:10.1007/978-3-030-54334-1_4.
short: 'T. Nickchen, G. Engels, J. Lohn, in: Industrializing Additive Manufacturing,
Cham, 2020.'
conference:
end_date: 2020-09-03
start_date: 2020-09-01
date_created: 2020-09-01T13:49:42Z
date_updated: 2022-01-06T06:53:52Z
ddc:
- '000'
department:
- _id: '534'
- _id: '624'
- _id: '27'
- _id: '66'
- _id: '219'
doi: 10.1007/978-3-030-54334-1_4
language:
- iso: eng
place: Cham
publication: Industrializing Additive Manufacturing
publication_identifier:
isbn:
- '9783030543334'
- '9783030543341'
publication_status: published
status: public
title: Opportunities of 3D Machine Learning for Manufacturability Analysis and Component
Recognition in the Additive Manufacturing Process Chain
type: book_chapter
user_id: '27340'
year: '2020'
...
---
_id: '32246'
abstract:
- lang: eng
text: State-of-the-art methods in materials science such as artificial intelligence
and data-driven techniques advance the investigation of photovoltaic materials.
author:
- first_name: Hossein
full_name: Mirhosseini, Hossein
last_name: Mirhosseini
- first_name: Ramya
full_name: Kormath Madam Raghupathy, Ramya
last_name: Kormath Madam Raghupathy
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Hendrik
full_name: Wiebeler, Hendrik
last_name: Wiebeler
- first_name: Manjusha
full_name: Chugh, Manjusha
last_name: Chugh
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
citation:
ama: Mirhosseini H, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M, Kühne
TD. In silico investigation of Cu(In,Ga)Se2-based solar cells.
Physical Chemistry Chemical Physics. 2020;22(46):26682-26701. doi:10.1039/d0cp04712k
apa: Mirhosseini, H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H.,
Chugh, M., & Kühne, T. D. (2020). In silico investigation of Cu(In,Ga)Se2-based
solar cells. Physical Chemistry Chemical Physics, 22(46), 26682–26701.
https://doi.org/10.1039/d0cp04712k
bibtex: '@article{Mirhosseini_Kormath Madam Raghupathy_Sahoo_Wiebeler_Chugh_Kühne_2020,
title={In silico investigation of Cu(In,Ga)Se2-based solar cells},
volume={22}, DOI={10.1039/d0cp04712k},
number={46}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society
of Chemistry (RSC)}, author={Mirhosseini, Hossein and Kormath Madam Raghupathy,
Ramya and Sahoo, Sudhir K. and Wiebeler, Hendrik and Chugh, Manjusha and Kühne,
Thomas D.}, year={2020}, pages={26682–26701} }'
chicago: 'Mirhosseini, Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo,
Hendrik Wiebeler, Manjusha Chugh, and Thomas D. Kühne. “In Silico Investigation
of Cu(In,Ga)Se2-Based Solar Cells.” Physical Chemistry Chemical
Physics 22, no. 46 (2020): 26682–701. https://doi.org/10.1039/d0cp04712k.'
ieee: 'H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler, M.
Chugh, and T. D. Kühne, “In silico investigation of Cu(In,Ga)Se2-based
solar cells,” Physical Chemistry Chemical Physics, vol. 22, no. 46, pp.
26682–26701, 2020, doi: 10.1039/d0cp04712k.'
mla: Mirhosseini, Hossein, et al. “In Silico Investigation of Cu(In,Ga)Se2-Based
Solar Cells.” Physical Chemistry Chemical Physics, vol. 22, no. 46, Royal
Society of Chemistry (RSC), 2020, pp. 26682–701, doi:10.1039/d0cp04712k.
short: H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M.
Chugh, T.D. Kühne, Physical Chemistry Chemical Physics 22 (2020) 26682–26701.
date_created: 2022-06-28T08:02:39Z
date_updated: 2022-06-28T08:03:05Z
department:
- _id: '27'
doi: 10.1039/d0cp04712k
intvolume: ' 22'
issue: '46'
keyword:
- Physical and Theoretical Chemistry
- General Physics and Astronomy
language:
- iso: eng
page: 26682-26701
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Chemistry Chemical Physics
publication_identifier:
issn:
- 1463-9076
- 1463-9084
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: In silico investigation of Cu(In,Ga)Se2-based solar cells
type: journal_article
user_id: '15278'
volume: 22
year: '2020'
...
---
_id: '32242'
abstract:
- lang: eng
text: "We consider a resource-aware variant of the classical multi-armed bandit\r\nproblem:
In each round, the learner selects an arm and determines a resource\r\nlimit.
It then observes a corresponding (random) reward, provided the (random)\r\namount
of consumed resources remains below the limit. Otherwise, the\r\nobservation is
censored, i.e., no reward is obtained. For this problem setting,\r\nwe introduce
a measure of regret, which incorporates the actual amount of\r\nallocated resources
of each learning round as well as the optimality of\r\nrealizable rewards. Thus,
to minimize regret, the learner needs to set a\r\nresource limit and choose an
arm in such a way that the chance to realize a\r\nhigh reward within the predefined
resource limit is high, while the resource\r\nlimit itself should be kept as low
as possible. We derive the theoretical lower\r\nbound on the cumulative regret
and propose a learning algorithm having a regret\r\nupper bound that matches the
lower bound. In a simulation study, we show that\r\nour learning algorithm outperforms
straightforward extensions of standard\r\nmulti-armed bandit algorithms."
author:
- first_name: Viktor
full_name: Bengs, Viktor
last_name: Bengs
- first_name: Eyke
full_name: Hüllermeier, Eyke
last_name: Hüllermeier
citation:
ama: Bengs V, Hüllermeier E. Multi-Armed Bandits with Censored Consumption of Resources.
arXiv:201100813. Published online 2020.
apa: Bengs, V., & Hüllermeier, E. (2020). Multi-Armed Bandits with Censored
Consumption of Resources. In arXiv:2011.00813.
bibtex: '@article{Bengs_Hüllermeier_2020, title={Multi-Armed Bandits with Censored
Consumption of Resources}, journal={arXiv:2011.00813}, author={Bengs, Viktor and
Hüllermeier, Eyke}, year={2020} }'
chicago: Bengs, Viktor, and Eyke Hüllermeier. “Multi-Armed Bandits with Censored
Consumption of Resources.” ArXiv:2011.00813, 2020.
ieee: V. Bengs and E. Hüllermeier, “Multi-Armed Bandits with Censored Consumption
of Resources,” arXiv:2011.00813. 2020.
mla: Bengs, Viktor, and Eyke Hüllermeier. “Multi-Armed Bandits with Censored Consumption
of Resources.” ArXiv:2011.00813, 2020.
short: V. Bengs, E. Hüllermeier, ArXiv:2011.00813 (2020).
date_created: 2022-06-28T07:26:54Z
date_updated: 2022-06-28T07:27:19Z
department:
- _id: '27'
external_id:
arxiv:
- '2011.00813'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2011.00813
status: public
title: Multi-Armed Bandits with Censored Consumption of Resources
type: preprint
user_id: '15278'
year: '2020'
...
---
_id: '16277'
abstract:
- lang: eng
text: CP2K is an open source electronic structure and molecular dynamics software
package to perform atomistic simulations of solid-state, liquid, molecular, and
biological systems. It is especially aimed at massively parallel and linear-scaling
electronic structure methods and state-of-theart ab initio molecular dynamics
simulations. Excellent performance for electronic structure calculations is achieved
using novel algorithms implemented for modern high-performance computing systems.
This review revisits the main capabilities of CP2K to perform efficient and accurate
electronic structure simulations. The emphasis is put on density functional theory
and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach
and its augmented all-electron extension.
article_number: '194103'
author:
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Marcella
full_name: Iannuzzi, Marcella
last_name: Iannuzzi
- first_name: Mauro Del
full_name: Ben, Mauro Del
last_name: Ben
- first_name: Vladimir V.
full_name: Rybkin, Vladimir V.
last_name: Rybkin
- first_name: Patrick
full_name: Seewald, Patrick
last_name: Seewald
- first_name: Frederick
full_name: Stein, Frederick
last_name: Stein
- first_name: Teodoro
full_name: Laino, Teodoro
last_name: Laino
- first_name: Rustam Z.
full_name: Khaliullin, Rustam Z.
last_name: Khaliullin
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Florian
full_name: Schiffmann, Florian
last_name: Schiffmann
- first_name: Dorothea
full_name: Golze, Dorothea
last_name: Golze
- first_name: Jan
full_name: Wilhelm, Jan
last_name: Wilhelm
- first_name: Sergey
full_name: Chulkov, Sergey
last_name: Chulkov
- first_name: Mohammad Hossein Bani-Hashemian
full_name: Mohammad Hossein Bani-Hashemian, Mohammad Hossein Bani-Hashemian
last_name: Mohammad Hossein Bani-Hashemian
- first_name: Valéry
full_name: Weber, Valéry
last_name: Weber
- first_name: Urban
full_name: Borstnik, Urban
last_name: Borstnik
- first_name: Mathieu
full_name: Taillefumier, Mathieu
last_name: Taillefumier
- first_name: Alice Shoshana
full_name: Jakobovits, Alice Shoshana
last_name: Jakobovits
- first_name: Alfio
full_name: Lazzaro, Alfio
last_name: Lazzaro
- first_name: Hans
full_name: Pabst, Hans
last_name: Pabst
- first_name: Tiziano
full_name: Müller, Tiziano
last_name: Müller
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Manuel
full_name: Guidon, Manuel
last_name: Guidon
- first_name: Samuel
full_name: Andermatt, Samuel
last_name: Andermatt
- first_name: Nico
full_name: Holmberg, Nico
last_name: Holmberg
- first_name: Gregory K.
full_name: Schenter, Gregory K.
last_name: Schenter
- first_name: Anna
full_name: Hehn, Anna
last_name: Hehn
- first_name: Augustin
full_name: Bussy, Augustin
last_name: Bussy
- first_name: Fabian
full_name: Belleflamme, Fabian
last_name: Belleflamme
- first_name: Gloria
full_name: Tabacchi, Gloria
last_name: Tabacchi
- first_name: Andreas
full_name: Glöß, Andreas
last_name: Glöß
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Iain
full_name: Bethune, Iain
last_name: Bethune
- first_name: Christopher J.
full_name: Mundy, Christopher J.
last_name: Mundy
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Matt
full_name: Watkins, Matt
last_name: Watkins
- first_name: Joost
full_name: VandeVondele, Joost
last_name: VandeVondele
- first_name: Matthias
full_name: Krack, Matthias
last_name: Krack
- first_name: Jürg
full_name: Hutter, Jürg
last_name: Hutter
citation:
ama: 'Kühne T, Iannuzzi M, Ben MD, et al. CP2K: An electronic structure and molecular
dynamics software package - Quickstep: Efficient and accurate electronic structure
calculations. The Journal of Chemical Physics. 2020;152(19). doi:10.1063/5.0007045'
apa: 'Kühne, T., Iannuzzi, M., Ben, M. D., Rybkin, V. V., Seewald, P., Stein, F.,
Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., Golze, D., Wilhelm,
J., Chulkov, S., Mohammad Hossein Bani-Hashemian, M. H. B.-H., Weber, V., Borstnik,
U., Taillefumier, M., Jakobovits, A. S., Lazzaro, A., … Hutter, J. (2020). CP2K:
An electronic structure and molecular dynamics software package - Quickstep: Efficient
and accurate electronic structure calculations. The Journal of Chemical Physics,
152(19), Article 194103. https://doi.org/10.1063/5.0007045'
bibtex: '@article{Kühne_Iannuzzi_Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et
al._2020, title={CP2K: An electronic structure and molecular dynamics software
package - Quickstep: Efficient and accurate electronic structure calculations},
volume={152}, DOI={10.1063/5.0007045},
number={19194103}, journal={The Journal of Chemical Physics}, author={Kühne, Thomas
and Iannuzzi, Marcella and Ben, Mauro Del and Rybkin, Vladimir V. and Seewald,
Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and
Schütt, Ole and Schiffmann, Florian and et al.}, year={2020} }'
chicago: 'Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick
Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure
and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic
Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020).
https://doi.org/10.1063/5.0007045.'
ieee: 'T. Kühne et al., “CP2K: An electronic structure and molecular dynamics
software package - Quickstep: Efficient and accurate electronic structure calculations,”
The Journal of Chemical Physics, vol. 152, no. 19, Art. no. 194103, 2020,
doi: 10.1063/5.0007045.'
mla: 'Kühne, Thomas, et al. “CP2K: An Electronic Structure and Molecular Dynamics
Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.”
The Journal of Chemical Physics, vol. 152, no. 19, 194103, 2020, doi:10.1063/5.0007045.'
short: T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino,
R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H.
Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S.
Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt,
N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A.
Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele,
M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
date_created: 2020-03-10T15:12:31Z
date_updated: 2023-08-02T14:56:21Z
ddc:
- '540'
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.1063/5.0007045
external_id:
arxiv:
- '2003.03868'
file:
- access_level: closed
content_type: application/pdf
creator: lass
date_created: 2020-05-25T15:21:56Z
date_updated: 2020-05-25T15:21:56Z
file_id: '17061'
file_name: 5.0007045.pdf
file_size: 4887650
relation: main_file
success: 1
file_date_updated: 2020-05-25T15:21:56Z
has_accepted_license: '1'
intvolume: ' 152'
issue: '19'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://aip.scitation.org/doi/pdf/10.1063/5.0007045?download=true
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The Journal of Chemical Physics
publication_status: published
quality_controlled: '1'
status: public
title: 'CP2K: An electronic structure and molecular dynamics software package - Quickstep:
Efficient and accurate electronic structure calculations'
type: journal_article
user_id: '75963'
volume: 152
year: '2020'
...
---
_id: '16898'
abstract:
- lang: eng
text: "Electronic structure calculations based on density-functional theory (DFT)\r\nrepresent
a significant part of today's HPC workloads and pose high demands on\r\nhigh-performance
computing resources. To perform these quantum-mechanical DFT\r\ncalculations on
complex large-scale systems, so-called linear scaling methods\r\ninstead of conventional
cubic scaling methods are required. In this work, we\r\ntake up the idea of the
submatrix method and apply it to the DFT computations\r\nin the software package
CP2K. For that purpose, we transform the underlying\r\nnumeric operations on distributed,
large, sparse matrices into computations on\r\nlocal, much smaller and nearly
dense matrices. This allows us to exploit the\r\nfull floating-point performance
of modern CPUs and to make use of dedicated\r\naccelerator hardware, where performance
has been limited by memory bandwidth\r\nbefore. We demonstrate both functionality
and performance of our implementation\r\nand show how it can be accelerated with
GPUs and FPGAs."
author:
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: 'Lass M, Schade R, Kühne T, Plessl C. A Submatrix-Based Method for Approximate
Matrix Function Evaluation in the Quantum Chemistry Code CP2K. In: Proc. International
Conference for High Performance Computing, Networking, Storage and Analysis (SC).
IEEE Computer Society; 2020:1127-1140. doi:10.1109/SC41405.2020.00084'
apa: Lass, M., Schade, R., Kühne, T., & Plessl, C. (2020). A Submatrix-Based
Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code
CP2K. Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC), 1127–1140. https://doi.org/10.1109/SC41405.2020.00084
bibtex: '@inproceedings{Lass_Schade_Kühne_Plessl_2020, place={Los Alamitos, CA,
USA}, title={A Submatrix-Based Method for Approximate Matrix Function Evaluation
in the Quantum Chemistry Code CP2K}, DOI={10.1109/SC41405.2020.00084},
booktitle={Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC)}, publisher={IEEE Computer Society}, author={Lass, Michael
and Schade, Robert and Kühne, Thomas and Plessl, Christian}, year={2020}, pages={1127–1140}
}'
chicago: 'Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based
Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code
CP2K.” In Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society,
2020. https://doi.org/10.1109/SC41405.2020.00084.'
ieee: 'M. Lass, R. Schade, T. Kühne, and C. Plessl, “A Submatrix-Based Method for
Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K,” in
Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC), Atlanta, GA, US, 2020, pp. 1127–1140, doi: 10.1109/SC41405.2020.00084.'
mla: Lass, Michael, et al. “A Submatrix-Based Method for Approximate Matrix Function
Evaluation in the Quantum Chemistry Code CP2K.” Proc. International Conference
for High Performance Computing, Networking, Storage and Analysis (SC), IEEE
Computer Society, 2020, pp. 1127–40, doi:10.1109/SC41405.2020.00084.
short: 'M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference
for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer
Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.'
conference:
location: Atlanta, GA, US
name: 'SC20: International Conference for High Performance Computing, Networking,
Storage and Analysis (SC)'
date_created: 2020-04-28T14:44:21Z
date_updated: 2023-08-02T14:55:59Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.1109/SC41405.2020.00084
external_id:
arxiv:
- '2004.10811'
language:
- iso: eng
main_file_link:
- url: https://ieeexplore.ieee.org/document/9355245
page: 1127-1140
place: Los Alamitos, CA, USA
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC)
publisher: IEEE Computer Society
quality_controlled: '1'
status: public
title: A Submatrix-Based Method for Approximate Matrix Function Evaluation in the
Quantum Chemistry Code CP2K
type: conference
user_id: '75963'
year: '2020'
...
---
_id: '21632'
abstract:
- lang: eng
text: FPGAs have found increasing adoption in data center applications since a new
generation of high-level tools have become available which noticeably reduce development
time for FPGA accelerators and still provide high-quality results. There is, however,
no high-level benchmark suite available, which specifically enables a comparison
of FPGA architectures, programming tools, and libraries for HPC applications.
To fill this gap, we have developed an OpenCL-based open-source implementation
of the HPCC benchmark suite for Xilinx and Intel FPGAs. This benchmark can serve
to analyze the current capabilities of FPGA devices, cards, and development tool
flows, track progress over time, and point out specific difficulties for FPGA
acceleration in the HPC domain. Additionally, the benchmark documents proven performance
optimization patterns. We will continue optimizing and porting the benchmark for
new generations of FPGAs and design tools and encourage active participation to
create a valuable tool for the community. To fill this gap, we have developed
an OpenCL-based open-source implementation of the HPCC benchmark suite for Xilinx
and Intel FPGAs. This benchmark can serve to analyze the current capabilities
of FPGA devices, cards, and development tool flows, track progress over time,
and point out specific difficulties for FPGA acceleration in the HPC domain. Additionally,
the benchmark documents proven performance optimization patterns. We will continue
optimizing and porting the benchmark for new generations of FPGAs and design tools
and encourage active participation to create a valuable tool for the community.
author:
- first_name: Marius
full_name: Meyer, Marius
id: '40778'
last_name: Meyer
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: 'Meyer M, Kenter T, Plessl C. Evaluating FPGA Accelerator Performance with
a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark
Suite. In: 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance
Reconfigurable Computing (H2RC). ; 2020. doi:10.1109/h2rc51942.2020.00007'
apa: Meyer, M., Kenter, T., & Plessl, C. (2020). Evaluating FPGA Accelerator
Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the
HPCChallenge Benchmark Suite. 2020 IEEE/ACM International Workshop on Heterogeneous
High-Performance Reconfigurable Computing (H2RC). https://doi.org/10.1109/h2rc51942.2020.00007
bibtex: '@inproceedings{Meyer_Kenter_Plessl_2020, title={Evaluating FPGA Accelerator
Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the
HPCChallenge Benchmark Suite}, DOI={10.1109/h2rc51942.2020.00007},
booktitle={2020 IEEE/ACM International Workshop on Heterogeneous High-performance
Reconfigurable Computing (H2RC)}, author={Meyer, Marius and Kenter, Tobias and
Plessl, Christian}, year={2020} }'
chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “Evaluating FPGA Accelerator
Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the
HPCChallenge Benchmark Suite.” In 2020 IEEE/ACM International Workshop on Heterogeneous
High-Performance Reconfigurable Computing (H2RC), 2020. https://doi.org/10.1109/h2rc51942.2020.00007.
ieee: 'M. Meyer, T. Kenter, and C. Plessl, “Evaluating FPGA Accelerator Performance
with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge
Benchmark Suite,” 2020, doi: 10.1109/h2rc51942.2020.00007.'
mla: Meyer, Marius, et al. “Evaluating FPGA Accelerator Performance with a Parameterized
OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite.”
2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable
Computing (H2RC), 2020, doi:10.1109/h2rc51942.2020.00007.
short: 'M. Meyer, T. Kenter, C. Plessl, in: 2020 IEEE/ACM International Workshop
on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020.'
date_created: 2021-04-16T10:17:22Z
date_updated: 2023-09-26T11:42:53Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/h2rc51942.2020.00007
keyword:
- FPGA
- OpenCL
- High Level Synthesis
- HPC benchmarking
language:
- iso: eng
main_file_link:
- url: https://ieeexplore.ieee.org/document/9306963
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 2020 IEEE/ACM International Workshop on Heterogeneous High-performance
Reconfigurable Computing (H2RC)
publication_identifier:
isbn:
- '9781665415927'
publication_status: published
quality_controlled: '1'
related_material:
link:
- description: Official repository of the benchmark suite on GitHub
relation: supplementary_material
url: https://github.com/pc2/HPCC_FPGA
status: public
title: Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation
of Selected Benchmarks of the HPCChallenge Benchmark Suite
type: conference
user_id: '15278'
year: '2020'
...
---
_id: '12878'
abstract:
- lang: eng
text: In scientific computing, the acceleration of atomistic computer simulations
by means of custom hardware is finding ever-growing application. A major limitation,
however, is that the high efficiency in terms of performance and low power consumption
entails the massive usage of low precision computing units. Here, based on the
approximate computing paradigm, we present an algorithmic method to compensate
for numerical inaccuracies due to low accuracy arithmetic operations rigorously,
yet still obtaining exact expectation values using a properly modified Langevin-type
equation.
article_number: '39'
author:
- first_name: Varadarajan
full_name: Rengaraj, Varadarajan
last_name: Rengaraj
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Rengaraj V, Lass M, Plessl C, Kühne T. Accurate Sampling with Noisy Forces
from Approximate Computing. Computation. 2020;8(2). doi:10.3390/computation8020039
apa: Rengaraj, V., Lass, M., Plessl, C., & Kühne, T. (2020). Accurate Sampling
with Noisy Forces from Approximate Computing. Computation, 8(2),
Article 39. https://doi.org/10.3390/computation8020039
bibtex: '@article{Rengaraj_Lass_Plessl_Kühne_2020, title={Accurate Sampling with
Noisy Forces from Approximate Computing}, volume={8}, DOI={10.3390/computation8020039},
number={239}, journal={Computation}, publisher={MDPI}, author={Rengaraj, Varadarajan
and Lass, Michael and Plessl, Christian and Kühne, Thomas}, year={2020} }'
chicago: Rengaraj, Varadarajan, Michael Lass, Christian Plessl, and Thomas Kühne.
“Accurate Sampling with Noisy Forces from Approximate Computing.” Computation
8, no. 2 (2020). https://doi.org/10.3390/computation8020039.
ieee: 'V. Rengaraj, M. Lass, C. Plessl, and T. Kühne, “Accurate Sampling with Noisy
Forces from Approximate Computing,” Computation, vol. 8, no. 2, Art. no.
39, 2020, doi: 10.3390/computation8020039.'
mla: Rengaraj, Varadarajan, et al. “Accurate Sampling with Noisy Forces from Approximate
Computing.” Computation, vol. 8, no. 2, 39, MDPI, 2020, doi:10.3390/computation8020039.
short: V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
date_created: 2019-07-23T12:03:07Z
date_updated: 2023-09-26T11:43:52Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.3390/computation8020039
external_id:
arxiv:
- '1907.08497'
intvolume: ' 8'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://www.mdpi.com/2079-3197/8/2/39/pdf
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
publication: Computation
publisher: MDPI
quality_controlled: '1'
status: public
title: Accurate Sampling with Noisy Forces from Approximate Computing
type: journal_article
user_id: '15278'
volume: 8
year: '2020'
...
---
_id: '7689'
article_type: original
author:
- first_name: Heinrich
full_name: Riebler, Heinrich
id: '8961'
last_name: Riebler
- first_name: Gavin Francis
full_name: Vaz, Gavin Francis
id: '30332'
last_name: Vaz
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Riebler H, Vaz GF, Kenter T, Plessl C. Transparent Acceleration for Heterogeneous
Platforms with Compilation to OpenCL. ACM Trans Archit Code Optim (TACO).
2019;16(2):14:1–14:26. doi:10.1145/3319423
apa: Riebler, H., Vaz, G. F., Kenter, T., & Plessl, C. (2019). Transparent Acceleration
for Heterogeneous Platforms with Compilation to OpenCL. ACM Trans. Archit.
Code Optim. (TACO), 16(2), 14:1–14:26. https://doi.org/10.1145/3319423
bibtex: '@article{Riebler_Vaz_Kenter_Plessl_2019, title={Transparent Acceleration
for Heterogeneous Platforms with Compilation to OpenCL}, volume={16}, DOI={10.1145/3319423}, number={2}, journal={ACM
Trans. Archit. Code Optim. (TACO)}, publisher={ACM}, author={Riebler, Heinrich
and Vaz, Gavin Francis and Kenter, Tobias and Plessl, Christian}, year={2019},
pages={14:1–14:26} }'
chicago: 'Riebler, Heinrich, Gavin Francis Vaz, Tobias Kenter, and Christian Plessl.
“Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL.”
ACM Trans. Archit. Code Optim. (TACO) 16, no. 2 (2019): 14:1–14:26. https://doi.org/10.1145/3319423.'
ieee: H. Riebler, G. F. Vaz, T. Kenter, and C. Plessl, “Transparent Acceleration
for Heterogeneous Platforms with Compilation to OpenCL,” ACM Trans. Archit.
Code Optim. (TACO), vol. 16, no. 2, pp. 14:1–14:26, 2019.
mla: Riebler, Heinrich, et al. “Transparent Acceleration for Heterogeneous Platforms
with Compilation to OpenCL.” ACM Trans. Archit. Code Optim. (TACO), vol.
16, no. 2, ACM, 2019, pp. 14:1–14:26, doi:10.1145/3319423.
short: H. Riebler, G.F. Vaz, T. Kenter, C. Plessl, ACM Trans. Archit. Code Optim.
(TACO) 16 (2019) 14:1–14:26.
date_created: 2019-02-13T15:01:43Z
date_updated: 2022-01-06T07:03:44Z
ddc:
- '000'
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3319423
file:
- access_level: closed
content_type: application/pdf
creator: deffel
date_created: 2019-02-13T14:59:07Z
date_updated: 2019-02-13T14:59:07Z
file_id: '7695'
file_name: htrop19_taco.pdf
file_size: 872822
relation: main_file
file_date_updated: 2019-02-13T14:59:07Z
has_accepted_license: '1'
intvolume: ' 16'
issue: '2'
keyword:
- htrop
language:
- iso: eng
page: 14:1–14:26
project:
- _id: '1'
name: SFB 901
- _id: '4'
name: SFB 901 - Project Area C
- _id: '14'
name: SFB 901 - Subproject C2
publication: ACM Trans. Archit. Code Optim. (TACO)
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL
type: journal_article
user_id: '16153'
volume: 16
year: '2019'
...
---
_id: '15478'
abstract:
- lang: eng
text: Stratix 10 FPGA cards have a good potential for the acceleration of HPC workloads
since the Stratix 10 product line introduces devices with a large number of DSP
and memory blocks. The high level synthesis of OpenCL codes can play a fundamental
role for FPGAs in HPC, because it allows to implement different designs with lower
development effort compared to hand optimized HDL. However, Stratix 10 cards are
still hard to fully exploit using the Intel FPGA SDK for OpenCL. The implementation
of designs with thousands of concurrent arithmetic operations often suffers from
place and route problems that limit the maximum frequency or entirely prevent
a successful synthesis. In order to overcome these issues for the implementation
of the matrix multiplication, we formulate Cannon's matrix multiplication algorithm
with regard to its efficient synthesis within the FPGA logic. We obtain a two-level
block algorithm, where the lower level sub-matrices are multiplied using our Cannon's
algorithm implementation. Following this design approach with multiple compute
units, we are able to get maximum frequencies close to and above 300 MHz with
high utilization of DSP and memory blocks. This allows for performance results
above 1 TeraFLOPS.
author:
- first_name: Paolo
full_name: Gorlani, Paolo
id: '72045'
last_name: Gorlani
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: 'Gorlani P, Kenter T, Plessl C. OpenCL Implementation of Cannon’s Matrix Multiplication
Algorithm on Intel Stratix 10 FPGAs. In: Proceedings of the International Conference
on Field-Programmable Technology (FPT). IEEE; 2019. doi:10.1109/ICFPT47387.2019.00020'
apa: Gorlani, P., Kenter, T., & Plessl, C. (2019). OpenCL Implementation of
Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs. In Proceedings
of the International Conference on Field-Programmable Technology (FPT). IEEE.
https://doi.org/10.1109/ICFPT47387.2019.00020
bibtex: '@inproceedings{Gorlani_Kenter_Plessl_2019, title={OpenCL Implementation
of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs}, DOI={10.1109/ICFPT47387.2019.00020},
booktitle={Proceedings of the International Conference on Field-Programmable Technology
(FPT)}, publisher={IEEE}, author={Gorlani, Paolo and Kenter, Tobias and Plessl,
Christian}, year={2019} }'
chicago: Gorlani, Paolo, Tobias Kenter, and Christian Plessl. “OpenCL Implementation
of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs.” In Proceedings
of the International Conference on Field-Programmable Technology (FPT). IEEE,
2019. https://doi.org/10.1109/ICFPT47387.2019.00020.
ieee: P. Gorlani, T. Kenter, and C. Plessl, “OpenCL Implementation of Cannon’s Matrix
Multiplication Algorithm on Intel Stratix 10 FPGAs,” in Proceedings of the
International Conference on Field-Programmable Technology (FPT), 2019.
mla: Gorlani, Paolo, et al. “OpenCL Implementation of Cannon’s Matrix Multiplication
Algorithm on Intel Stratix 10 FPGAs.” Proceedings of the International Conference
on Field-Programmable Technology (FPT), IEEE, 2019, doi:10.1109/ICFPT47387.2019.00020.
short: 'P. Gorlani, T. Kenter, C. Plessl, in: Proceedings of the International Conference
on Field-Programmable Technology (FPT), IEEE, 2019.'
conference:
name: International Conference on Field-Programmable Technology (FPT)
date_created: 2020-01-09T12:54:48Z
date_updated: 2022-01-06T06:52:26Z
ddc:
- '004'
department:
- _id: '27'
- _id: '518'
doi: 10.1109/ICFPT47387.2019.00020
file:
- access_level: closed
content_type: application/pdf
creator: plessl
date_created: 2020-01-09T12:53:57Z
date_updated: 2020-01-09T12:53:57Z
file_id: '15479'
file_name: gorlani19_fpt.pdf
file_size: 250559
relation: main_file
success: 1
file_date_updated: 2020-01-09T12:53:57Z
has_accepted_license: '1'
language:
- iso: eng
project:
- _id: '33'
grant_number: 01|H16005
name: HighPerMeshes
- _id: '32'
grant_number: PL 595/2-1
name: Performance and Efficiency in HPC with Custom Computing
publication: Proceedings of the International Conference on Field-Programmable Technology
(FPT)
publisher: IEEE
quality_controlled: '1'
status: public
title: OpenCL Implementation of Cannon's Matrix Multiplication Algorithm on Intel
Stratix 10 FPGAs
type: conference
user_id: '3145'
year: '2019'
...
---
_id: '34167'
author:
- first_name: Heinrich
full_name: Riebler, Heinrich
id: '8961'
last_name: Riebler
citation:
ama: Riebler H. Efficient Parallel Branch-and-Bound Search on FPGAs Using Work
Stealing and Instance-Specific Designs.; 2019. doi:10.17619/UNIPB/1-830
apa: Riebler, H. (2019). Efficient parallel branch-and-bound search on FPGAs
using work stealing and instance-specific designs. https://doi.org/10.17619/UNIPB/1-830
bibtex: '@book{Riebler_2019, title={Efficient parallel branch-and-bound search on
FPGAs using work stealing and instance-specific designs}, DOI={10.17619/UNIPB/1-830},
author={Riebler, Heinrich}, year={2019} }'
chicago: Riebler, Heinrich. Efficient Parallel Branch-and-Bound Search on FPGAs
Using Work Stealing and Instance-Specific Designs, 2019. https://doi.org/10.17619/UNIPB/1-830.
ieee: H. Riebler, Efficient parallel branch-and-bound search on FPGAs using work
stealing and instance-specific designs. 2019.
mla: Riebler, Heinrich. Efficient Parallel Branch-and-Bound Search on FPGAs Using
Work Stealing and Instance-Specific Designs. 2019, doi:10.17619/UNIPB/1-830.
short: H. Riebler, Efficient Parallel Branch-and-Bound Search on FPGAs Using Work
Stealing and Instance-Specific Designs, 2019.
date_created: 2022-11-30T14:36:04Z
date_updated: 2022-11-30T14:44:15Z
department:
- _id: '27'
doi: 10.17619/UNIPB/1-830
language:
- iso: eng
project:
- _id: '1'
name: 'SFB 901: SFB 901'
- _id: '4'
name: 'SFB 901 - C: SFB 901 - Project Area C'
- _id: '14'
name: 'SFB 901 - C2: SFB 901 - Subproject C2'
status: public
supervisor:
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
title: Efficient parallel branch-and-bound search on FPGAs using work stealing and
instance-specific designs
type: dissertation
user_id: '15504'
year: '2019'
...
---
_id: '21'
abstract:
- lang: eng
text: "We address the general mathematical problem of computing the inverse p-th\r\nroot
of a given matrix in an efficient way. A new method to construct iteration\r\nfunctions
that allow calculating arbitrary p-th roots and their inverses of\r\nsymmetric
positive definite matrices is presented. We show that the order of\r\nconvergence
is at least quadratic and that adaptively adjusting a parameter q\r\nalways leads
to an even faster convergence. In this way, a better performance\r\nthan with
previously known iteration schemes is achieved. The efficiency of the\r\niterative
functions is demonstrated for various matrices with different\r\ndensities, condition
numbers and spectral radii."
author:
- first_name: Dorothee
full_name: Richters, Dorothee
last_name: Richters
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Andrea
full_name: Walther, Andrea
last_name: Walther
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Richters D, Lass M, Walther A, Plessl C, Kühne T. A General Algorithm to Calculate
the Inverse Principal p-th Root of Symmetric Positive Definite Matrices. Communications
in Computational Physics. 2019;25(2):564-585. doi:10.4208/cicp.OA-2018-0053
apa: Richters, D., Lass, M., Walther, A., Plessl, C., & Kühne, T. (2019). A
General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive
Definite Matrices. Communications in Computational Physics, 25(2),
564–585. https://doi.org/10.4208/cicp.OA-2018-0053
bibtex: '@article{Richters_Lass_Walther_Plessl_Kühne_2019, title={A General Algorithm
to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices},
volume={25}, DOI={10.4208/cicp.OA-2018-0053},
number={2}, journal={Communications in Computational Physics}, publisher={Global
Science Press}, author={Richters, Dorothee and Lass, Michael and Walther, Andrea
and Plessl, Christian and Kühne, Thomas}, year={2019}, pages={564–585} }'
chicago: 'Richters, Dorothee, Michael Lass, Andrea Walther, Christian Plessl, and
Thomas Kühne. “A General Algorithm to Calculate the Inverse Principal P-Th Root
of Symmetric Positive Definite Matrices.” Communications in Computational Physics
25, no. 2 (2019): 564–85. https://doi.org/10.4208/cicp.OA-2018-0053.'
ieee: 'D. Richters, M. Lass, A. Walther, C. Plessl, and T. Kühne, “A General Algorithm
to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices,”
Communications in Computational Physics, vol. 25, no. 2, pp. 564–585, 2019,
doi: 10.4208/cicp.OA-2018-0053.'
mla: Richters, Dorothee, et al. “A General Algorithm to Calculate the Inverse Principal
P-Th Root of Symmetric Positive Definite Matrices.” Communications in Computational
Physics, vol. 25, no. 2, Global Science Press, 2019, pp. 564–85, doi:10.4208/cicp.OA-2018-0053.
short: D. Richters, M. Lass, A. Walther, C. Plessl, T. Kühne, Communications in
Computational Physics 25 (2019) 564–585.
date_created: 2017-07-25T14:48:26Z
date_updated: 2023-09-26T11:45:02Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
- _id: '104'
doi: 10.4208/cicp.OA-2018-0053
external_id:
arxiv:
- '1703.02456'
intvolume: ' 25'
issue: '2'
language:
- iso: eng
page: 564-585
project:
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Communications in Computational Physics
publisher: Global Science Press
quality_controlled: '1'
status: public
title: A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric
Positive Definite Matrices
type: journal_article
user_id: '15278'
volume: 25
year: '2019'
...
---
_id: '12871'
author:
- first_name: Marco
full_name: Platzner, Marco
id: '398'
last_name: Platzner
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Platzner M, Plessl C. FPGAs im Rechenzentrum. Informatik Spektrum. Published
online 2019. doi:10.1007/s00287-019-01187-w
apa: Platzner, M., & Plessl, C. (2019). FPGAs im Rechenzentrum. Informatik
Spektrum. https://doi.org/10.1007/s00287-019-01187-w
bibtex: '@article{Platzner_Plessl_2019, title={FPGAs im Rechenzentrum}, DOI={10.1007/s00287-019-01187-w},
journal={Informatik Spektrum}, author={Platzner, Marco and Plessl, Christian},
year={2019} }'
chicago: Platzner, Marco, and Christian Plessl. “FPGAs im Rechenzentrum.” Informatik
Spektrum, 2019. https://doi.org/10.1007/s00287-019-01187-w.
ieee: 'M. Platzner and C. Plessl, “FPGAs im Rechenzentrum,” Informatik Spektrum,
2019, doi: 10.1007/s00287-019-01187-w.'
mla: Platzner, Marco, and Christian Plessl. “FPGAs im Rechenzentrum.” Informatik
Spektrum, 2019, doi:10.1007/s00287-019-01187-w.
short: M. Platzner, C. Plessl, Informatik Spektrum (2019).
date_created: 2019-07-22T12:42:44Z
date_updated: 2023-09-26T11:45:57Z
ddc:
- '004'
department:
- _id: '27'
- _id: '518'
- _id: '78'
doi: 10.1007/s00287-019-01187-w
file:
- access_level: open_access
content_type: application/pdf
creator: plessl
date_created: 2019-07-22T12:45:02Z
date_updated: 2019-07-22T12:45:02Z
file_id: '12872'
file_name: plessl19_informatik_spektrum.pdf
file_size: 248360
relation: main_file
file_date_updated: 2019-07-22T12:45:02Z
has_accepted_license: '1'
language:
- iso: ger
oa: '1'
publication: Informatik Spektrum
publication_identifier:
issn:
- 0170-6012
- 1432-122X
publication_status: published
quality_controlled: '1'
status: public
title: FPGAs im Rechenzentrum
type: journal_article
user_id: '15278'
year: '2019'
...