---
_id: '45361'
abstract:
- lang: eng
text: The non-orthogonal local submatrix method applied to electronic structure–based
molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32-mixed
floating-point arithmetic when using 4400 NVIDIA A100 GPUs of the Perlmutter system.
This is enabled by a modification of the original method that pushes the sustained
fraction of the peak performance to about 80%. Example calculations are performed
for SARS-CoV-2 spike proteins with up to 83 million atoms.
article_number: '109434202311776'
article_type: original
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: 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, Lass M, Kühne T, Plessl C. Breaking the exascale
barrier for the electronic structure problem in ab-initio molecular dynamics.
The International Journal of High Performance Computing Applications. Published
online 2023. doi:10.1177/10943420231177631
apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Kühne, T., & Plessl, C.
(2023). Breaking the exascale barrier for the electronic structure problem in
ab-initio molecular dynamics. The International Journal of High Performance
Computing Applications, Article 109434202311776. https://doi.org/10.1177/10943420231177631
bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Kühne_Plessl_2023, title={Breaking
the exascale barrier for the electronic structure problem in ab-initio molecular
dynamics}, DOI={10.1177/10943420231177631},
number={109434202311776}, journal={The International Journal of High Performance
Computing Applications}, publisher={SAGE Publications}, author={Schade, Robert
and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and
Plessl, Christian}, year={2023} }'
chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas Kühne,
and Christian Plessl. “Breaking the Exascale Barrier for the Electronic Structure
Problem in Ab-Initio Molecular Dynamics.” The International Journal of High
Performance Computing Applications, 2023. https://doi.org/10.1177/10943420231177631.
ieee: 'R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, and C. Plessl, “Breaking
the exascale barrier for the electronic structure problem in ab-initio molecular
dynamics,” The International Journal of High Performance Computing Applications,
Art. no. 109434202311776, 2023, doi: 10.1177/10943420231177631.'
mla: Schade, Robert, et al. “Breaking the Exascale Barrier for the Electronic Structure
Problem in Ab-Initio Molecular Dynamics.” The International Journal of High
Performance Computing Applications, 109434202311776, SAGE Publications, 2023,
doi:10.1177/10943420231177631.
short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, C. Plessl, The International
Journal of High Performance Computing Applications (2023).
date_created: 2023-05-30T09:19:09Z
date_updated: 2023-08-02T15:04:53Z
department:
- _id: '27'
- _id: '518'
doi: 10.1177/10943420231177631
keyword:
- Hardware and Architecture
- Theoretical Computer Science
- Software
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://journals.sagepub.com/doi/10.1177/10943420231177631
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The International Journal of High Performance Computing Applications
publication_identifier:
issn:
- 1094-3420
- 1741-2846
publication_status: published
publisher: SAGE Publications
quality_controlled: '1'
status: public
title: Breaking the exascale barrier for the electronic structure problem in ab-initio
molecular dynamics
type: journal_article
user_id: '75963'
year: '2023'
...
---
_id: '38041'
abstract:
- lang: eng
text: "While FPGA accelerator boards and their respective high-level design
tools are maturing, there is still a lack of multi-FPGA applications, libraries,
and not least, benchmarks and reference implementations towards sustained HPC
usage of these devices. As in the early days of GPUs in HPC, for workloads that
can reasonably be decoupled into loosely coupled working sets, multi-accelerator
support can be achieved by using standard communication interfaces like MPI on
the host side. However, for performance and productivity, some applications can
profit from a tighter coupling of the accelerators. FPGAs offer unique opportunities
here when extending the dataflow characteristics to their communication interfaces.\r\n
\ In this work, we extend the HPCC FPGA benchmark suite by multi-FPGA
support and three missing benchmarks that particularly characterize or stress
inter-device communication: b_eff, PTRANS, and LINPACK. With all benchmarks implemented
for current boards with Intel and Xilinx FPGAs, we established a baseline for
multi-FPGA performance. Additionally, for the communication-centric benchmarks,
we explored the potential of direct FPGA-to-FPGA communication with a circuit-switched
inter-FPGA network that is currently only available for one of the boards. The
evaluation with parallel execution on up to 26 FPGA boards makes use of one of
the largest academic FPGA installations."
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. Multi-FPGA Designs and Scaling of HPC Challenge
Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks. ACM Transactions
on Reconfigurable Technology and Systems. Published online 2023. doi:10.1145/3576200
apa: Meyer, M., Kenter, T., & Plessl, C. (2023). Multi-FPGA Designs and Scaling
of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks.
ACM Transactions on Reconfigurable Technology and Systems. https://doi.org/10.1145/3576200
bibtex: '@article{Meyer_Kenter_Plessl_2023, title={Multi-FPGA Designs and Scaling
of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks},
DOI={10.1145/3576200}, journal={ACM
Transactions on Reconfigurable Technology and Systems}, publisher={Association
for Computing Machinery (ACM)}, author={Meyer, Marius and Kenter, Tobias and Plessl,
Christian}, year={2023} }'
chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “Multi-FPGA Designs
and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA
Networks.” ACM Transactions on Reconfigurable Technology and Systems, 2023.
https://doi.org/10.1145/3576200.
ieee: 'M. Meyer, T. Kenter, and C. Plessl, “Multi-FPGA Designs and Scaling of HPC
Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks,” ACM
Transactions on Reconfigurable Technology and Systems, 2023, doi: 10.1145/3576200.'
mla: Meyer, Marius, et al. “Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks
via MPI and Circuit-Switched Inter-FPGA Networks.” ACM Transactions on Reconfigurable
Technology and Systems, Association for Computing Machinery (ACM), 2023, doi:10.1145/3576200.
short: M. Meyer, T. Kenter, C. Plessl, ACM Transactions on Reconfigurable Technology
and Systems (2023).
date_created: 2023-01-23T08:40:42Z
date_updated: 2023-07-28T08:02:05Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3576200
keyword:
- General Computer Science
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/10.1145/3576200
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '4'
name: 'SFB 901 - C: SFB 901 - Project Area C'
- _id: '1'
grant_number: '160364472'
name: 'SFB 901: SFB 901'
- _id: '14'
grant_number: '160364472'
name: 'SFB 901 - C2: SFB 901 - Subproject C2'
publication: ACM Transactions on Reconfigurable Technology and Systems
publication_identifier:
issn:
- 1936-7406
- 1936-7414
publication_status: published
publisher: Association for Computing Machinery (ACM)
quality_controlled: '1'
status: public
title: Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched
Inter-FPGA Networks
type: journal_article
user_id: '24135'
year: '2023'
...
---
_id: '46120'
abstract:
- lang: eng
text: The rise of exascale supercomputers has fueled competition among GPU vendors,
driving lattice QCD developers to write code that supports multiple APIs. Moreover,
new developments in algorithms and physics research require frequent updates to
existing software. These challenges have to be balanced against constantly changing
personnel. At the same time, there is a wide range of applications for HISQ fermions
in QCD studies. This situation encourages the development of software featuring
a HISQ action that is flexible, high-performing, open source, easy to use, and
easy to adapt. In this technical paper, we explain the design strategy, provide
implementation details, list available algorithms and modules, and show key performance
indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD
calculations, mainly developed and used by the HotQCD collaboration. The code
is publicly available on GitHub.
author:
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Dennis
full_name: Bollweg, Dennis
last_name: Bollweg
- first_name: David A.
full_name: Clarke, David A.
last_name: Clarke
- first_name: Luis
full_name: Altenkort, Luis
last_name: Altenkort
- first_name: Olaf
full_name: Kaczmarek, Olaf
last_name: Kaczmarek
- first_name: Rasmus
full_name: Larsen, Rasmus
last_name: Larsen
- first_name: Hai-Tao
full_name: Shu, Hai-Tao
last_name: Shu
- first_name: Jishnu
full_name: Goswami, Jishnu
last_name: Goswami
- first_name: Philipp
full_name: Scior, Philipp
last_name: Scior
- first_name: Hauke
full_name: Sandmeyer, Hauke
last_name: Sandmeyer
- first_name: Marius
full_name: Neumann, Marius
last_name: Neumann
- first_name: Henrik
full_name: Dick, Henrik
last_name: Dick
- first_name: Sajid
full_name: Ali, Sajid
last_name: Ali
- first_name: Jangho
full_name: Kim, Jangho
last_name: Kim
- first_name: Christian
full_name: Schmidt, Christian
last_name: Schmidt
- first_name: Peter
full_name: Petreczky, Peter
last_name: Petreczky
- first_name: Swagato
full_name: Mukherjee, Swagato
last_name: Mukherjee
citation:
ama: 'Mazur L, Bollweg D, Clarke DA, et al. SIMULATeQCD: A simple multi-GPU lattice
code for QCD calculations. Computer Physics Communications. Published online
2023. doi:10.48550/ARXIV.2306.01098'
apa: 'Mazur, L., Bollweg, D., Clarke, D. A., Altenkort, L., Kaczmarek, O., Larsen,
R., Shu, H.-T., Goswami, J., Scior, P., Sandmeyer, H., Neumann, M., Dick, H.,
Ali, S., Kim, J., Schmidt, C., Petreczky, P., & Mukherjee, S. (2023). SIMULATeQCD:
A simple multi-GPU lattice code for QCD calculations. Computer Physics Communications.
https://doi.org/10.48550/ARXIV.2306.01098'
bibtex: '@article{Mazur_Bollweg_Clarke_Altenkort_Kaczmarek_Larsen_Shu_Goswami_Scior_Sandmeyer_et
al._2023, title={SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations},
DOI={10.48550/ARXIV.2306.01098},
journal={Computer Physics Communications}, author={Mazur, Lukas and Bollweg, Dennis
and Clarke, David A. and Altenkort, Luis and Kaczmarek, Olaf and Larsen, Rasmus
and Shu, Hai-Tao and Goswami, Jishnu and Scior, Philipp and Sandmeyer, Hauke and
et al.}, year={2023} }'
chicago: 'Mazur, Lukas, Dennis Bollweg, David A. Clarke, Luis Altenkort, Olaf Kaczmarek,
Rasmus Larsen, Hai-Tao Shu, et al. “SIMULATeQCD: A Simple Multi-GPU Lattice Code
for QCD Calculations.” Computer Physics Communications, 2023. https://doi.org/10.48550/ARXIV.2306.01098.'
ieee: 'L. Mazur et al., “SIMULATeQCD: A simple multi-GPU lattice code for
QCD calculations,” Computer Physics Communications, 2023, doi: 10.48550/ARXIV.2306.01098.'
mla: 'Mazur, Lukas, et al. “SIMULATeQCD: A Simple Multi-GPU Lattice Code for QCD
Calculations.” Computer Physics Communications, 2023, doi:10.48550/ARXIV.2306.01098.'
short: L. Mazur, D. Bollweg, D.A. Clarke, L. Altenkort, O. Kaczmarek, R. Larsen,
H.-T. Shu, J. Goswami, P. Scior, H. Sandmeyer, M. Neumann, H. Dick, S. Ali, J.
Kim, C. Schmidt, P. Petreczky, S. Mukherjee, Computer Physics Communications (2023).
date_created: 2023-07-24T10:55:25Z
date_updated: 2023-07-26T09:21:35Z
department:
- _id: '27'
doi: 10.48550/ARXIV.2306.01098
language:
- iso: eng
publication: Computer Physics Communications
status: public
title: 'SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations'
type: journal_article
user_id: '90492'
year: '2023'
...
---
_id: '46119'
article_number: '014503'
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: Anthony
full_name: Francis, Anthony
last_name: Francis
- 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: 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, Francis A, et al. Viscosity of pure-glue QCD from the
lattice. Physical Review D. 2023;108(1). doi:10.1103/physrevd.108.014503
apa: Altenkort, L., Eller, A. M., Francis, A., Kaczmarek, O., Mazur, L., Moore,
G. D., & Shu, H.-T. (2023). Viscosity of pure-glue QCD from the lattice. Physical
Review D, 108(1), Article 014503. https://doi.org/10.1103/physrevd.108.014503
bibtex: '@article{Altenkort_Eller_Francis_Kaczmarek_Mazur_Moore_Shu_2023, title={Viscosity
of pure-glue QCD from the lattice}, volume={108}, DOI={10.1103/physrevd.108.014503},
number={1014503}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Altenkort, Luis and Eller, Alexander M. and Francis, Anthony and
Kaczmarek, Olaf and Mazur, Lukas and Moore, Guy D. and Shu, Hai-Tao}, year={2023}
}'
chicago: Altenkort, Luis, Alexander M. Eller, Anthony Francis, Olaf Kaczmarek, Lukas
Mazur, Guy D. Moore, and Hai-Tao Shu. “Viscosity of Pure-Glue QCD from the Lattice.”
Physical Review D 108, no. 1 (2023). https://doi.org/10.1103/physrevd.108.014503.
ieee: 'L. Altenkort et al., “Viscosity of pure-glue QCD from the lattice,”
Physical Review D, vol. 108, no. 1, Art. no. 014503, 2023, doi: 10.1103/physrevd.108.014503.'
mla: Altenkort, Luis, et al. “Viscosity of Pure-Glue QCD from the Lattice.” Physical
Review D, vol. 108, no. 1, 014503, American Physical Society (APS), 2023,
doi:10.1103/physrevd.108.014503.
short: L. Altenkort, A.M. Eller, A. Francis, O. Kaczmarek, L. Mazur, G.D. Moore,
H.-T. Shu, Physical Review D 108 (2023).
date_created: 2023-07-24T10:54:18Z
date_updated: 2023-07-26T09:23:32Z
department:
- _id: '27'
doi: 10.1103/physrevd.108.014503
intvolume: ' 108'
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: Viscosity of pure-glue QCD from the lattice
type: journal_article
user_id: '90492'
volume: 108
year: '2023'
...
---
_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: '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: '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: '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: '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: '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'
...