---
_id: '61362'
abstract:
- lang: eng
text: We study the interaction of gray tracking and DC ionic conductivity
in Potassium Titanyl Phosphate (KTiOPO4, KTP) and present
a novel way to reduce conductivity via a potassium nitrate treatment improving
the device quality.
author:
- first_name: Christof
full_name: Eigner, Christof
id: '13244'
last_name: Eigner
orcid: https://orcid.org/0000-0002-5693-3083
- first_name: Laura
full_name: Padberg, Laura
id: '40300'
last_name: Padberg
- first_name: Viktor
full_name: Quiring, Viktor
last_name: Quiring
- first_name: Adriana
full_name: Bocchini, Adriana
id: '58349'
last_name: Bocchini
orcid: 0000-0002-2134-3075
- first_name: Matteo
full_name: Santandrea, Matteo
id: '55095'
last_name: Santandrea
orcid: 0000-0001-5718-358X
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
citation:
ama: 'Eigner C, Padberg L, Quiring V, et al. Potassium Titanyl Phosphate Material
Engineering Boosting Integrated Optical Source Performance. In: CLEO 2023.
Optica Publishing Group; 2023. doi:10.1364/cleo_at.2023.jw2a.57'
apa: Eigner, C., Padberg, L., Quiring, V., Bocchini, A., Santandrea, M., Gerstmann,
U., Schmidt, W. G., & Silberhorn, C. (2023). Potassium Titanyl Phosphate Material
Engineering Boosting Integrated Optical Source Performance. CLEO 2023.
https://doi.org/10.1364/cleo_at.2023.jw2a.57
bibtex: '@inproceedings{Eigner_Padberg_Quiring_Bocchini_Santandrea_Gerstmann_Schmidt_Silberhorn_2023,
title={Potassium Titanyl Phosphate Material Engineering Boosting Integrated Optical
Source Performance}, DOI={10.1364/cleo_at.2023.jw2a.57},
booktitle={CLEO 2023}, publisher={Optica Publishing Group}, author={Eigner, Christof
and Padberg, Laura and Quiring, Viktor and Bocchini, Adriana and Santandrea, Matteo
and Gerstmann, Uwe and Schmidt, Wolf Gero and Silberhorn, Christine}, year={2023}
}'
chicago: Eigner, Christof, Laura Padberg, Viktor Quiring, Adriana Bocchini, Matteo
Santandrea, Uwe Gerstmann, Wolf Gero Schmidt, and Christine Silberhorn. “Potassium
Titanyl Phosphate Material Engineering Boosting Integrated Optical Source Performance.”
In CLEO 2023. Optica Publishing Group, 2023. https://doi.org/10.1364/cleo_at.2023.jw2a.57.
ieee: 'C. Eigner et al., “Potassium Titanyl Phosphate Material Engineering
Boosting Integrated Optical Source Performance,” 2023, doi: 10.1364/cleo_at.2023.jw2a.57.'
mla: Eigner, Christof, et al. “Potassium Titanyl Phosphate Material Engineering
Boosting Integrated Optical Source Performance.” CLEO 2023, Optica Publishing
Group, 2023, doi:10.1364/cleo_at.2023.jw2a.57.
short: 'C. Eigner, L. Padberg, V. Quiring, A. Bocchini, M. Santandrea, U. Gerstmann,
W.G. Schmidt, C. Silberhorn, in: CLEO 2023, Optica Publishing Group, 2023.'
date_created: 2025-09-18T12:06:19Z
date_updated: 2025-09-18T12:08:56Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '288'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '27'
doi: 10.1364/cleo_at.2023.jw2a.57
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
zu funktionellen Strukturen'
- _id: '54'
name: TRR 142 - Project Area A
- _id: '55'
name: TRR 142 - Project Area B
- _id: '168'
name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat
(B07*)
- _id: '166'
name: TRR 142 - Subproject A11
publication: CLEO 2023
publication_status: published
publisher: Optica Publishing Group
status: public
title: Potassium Titanyl Phosphate Material Engineering Boosting Integrated Optical
Source Performance
type: conference
user_id: '16199'
year: '2023'
...
---
_id: '61360'
author:
- first_name: Andreas
full_name: Hajduk, Andreas
last_name: Hajduk
- first_name: Mohammad Amin
full_name: Zare Pour, Mohammad Amin
last_name: Zare Pour
- first_name: Agnieszka
full_name: Paszuk, Agnieszka
last_name: Paszuk
- first_name: Margot
full_name: Guidat, Margot
last_name: Guidat
- first_name: Mario
full_name: Löw, Mario
last_name: Löw
- first_name: Fabian
full_name: Ullmann, Fabian
last_name: Ullmann
- first_name: Dominik C.
full_name: Moritz, Dominik C.
last_name: Moritz
- first_name: Jan P.
full_name: Hofmann, Jan P.
last_name: Hofmann
- first_name: Stefan
full_name: Krischok, Stefan
last_name: Krischok
- first_name: Erich
full_name: Runge, Erich
last_name: Runge
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Wolfram
full_name: Jaegermann, Wolfram
last_name: Jaegermann
- first_name: Matthias M.
full_name: May, Matthias M.
last_name: May
- first_name: Thomas
full_name: Hannappel, Thomas
last_name: Hannappel
citation:
ama: 'Hajduk A, Zare Pour MA, Paszuk A, et al. (Photo-)electrochemical reactions
on semiconductor surfaces, part B: III-V surfaces–atomic and electronic structure.
In: Encyclopedia of Solid-Liquid Interfaces. Elsevier; 2023. doi:10.1016/b978-0-323-85669-0.00113-6'
apa: 'Hajduk, A., Zare Pour, M. A., Paszuk, A., Guidat, M., Löw, M., Ullmann, F.,
Moritz, D. C., Hofmann, J. P., Krischok, S., Runge, E., Schmidt, W. G., Jaegermann,
W., May, M. M., & Hannappel, T. (2023). (Photo-)electrochemical reactions
on semiconductor surfaces, part B: III-V surfaces–atomic and electronic structure.
In Encyclopedia of Solid-Liquid Interfaces. Elsevier. https://doi.org/10.1016/b978-0-323-85669-0.00113-6'
bibtex: '@inbook{Hajduk_Zare Pour_Paszuk_Guidat_Löw_Ullmann_Moritz_Hofmann_Krischok_Runge_et
al._2023, title={(Photo-)electrochemical reactions on semiconductor surfaces,
part B: III-V surfaces–atomic and electronic structure}, DOI={10.1016/b978-0-323-85669-0.00113-6},
booktitle={Encyclopedia of Solid-Liquid Interfaces}, publisher={Elsevier}, author={Hajduk,
Andreas and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Guidat, Margot
and Löw, Mario and Ullmann, Fabian and Moritz, Dominik C. and Hofmann, Jan P.
and Krischok, Stefan and Runge, Erich and et al.}, year={2023} }'
chicago: 'Hajduk, Andreas, Mohammad Amin Zare Pour, Agnieszka Paszuk, Margot Guidat,
Mario Löw, Fabian Ullmann, Dominik C. Moritz, et al. “(Photo-)Electrochemical
Reactions on Semiconductor Surfaces, Part B: III-V Surfaces–Atomic and Electronic
Structure.” In Encyclopedia of Solid-Liquid Interfaces. Elsevier, 2023.
https://doi.org/10.1016/b978-0-323-85669-0.00113-6.'
ieee: 'A. Hajduk et al., “(Photo-)electrochemical reactions on semiconductor
surfaces, part B: III-V surfaces–atomic and electronic structure,” in Encyclopedia
of Solid-Liquid Interfaces, Elsevier, 2023.'
mla: 'Hajduk, Andreas, et al. “(Photo-)Electrochemical Reactions on Semiconductor
Surfaces, Part B: III-V Surfaces–Atomic and Electronic Structure.” Encyclopedia
of Solid-Liquid Interfaces, Elsevier, 2023, doi:10.1016/b978-0-323-85669-0.00113-6.'
short: 'A. Hajduk, M.A. Zare Pour, A. Paszuk, M. Guidat, M. Löw, F. Ullmann, D.C.
Moritz, J.P. Hofmann, S. Krischok, E. Runge, W.G. Schmidt, W. Jaegermann, M.M.
May, T. Hannappel, in: Encyclopedia of Solid-Liquid Interfaces, Elsevier, 2023.'
date_created: 2025-09-18T11:55:30Z
date_updated: 2025-09-18T12:00:59Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1016/b978-0-323-85669-0.00113-6
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Encyclopedia of Solid-Liquid Interfaces
publication_identifier:
isbn:
- '9780323856706'
publication_status: published
publisher: Elsevier
status: public
title: '(Photo-)electrochemical reactions on semiconductor surfaces, part B: III-V
surfaces–atomic and electronic structure'
type: book_chapter
user_id: '16199'
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
id: '73960'
last_name: Opdenhövel
orcid: 0000-0003-2314-2784
- 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: 2025-11-04T09:32:49Z
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: '46190'
author:
- first_name: Jan-Oliver
full_name: Opdenhövel, Jan-Oliver
id: '73960'
last_name: Opdenhövel
orcid: 0000-0003-2314-2784
- 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: 'Opdenhövel J-O, Plessl C, Kenter T. Mutation Tree Reconstruction of Tumor
Cells on FPGAs Using a Bit-Level Matrix Representation. In: Proceedings of
the 13th International Symposium on Highly Efficient Accelerators and Reconfigurable
Technologies (HEART). ACM; 2023. doi:10.1145/3597031.3597050'
apa: Opdenhövel, J.-O., Plessl, C., & Kenter, T. (2023). Mutation Tree Reconstruction
of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation. Proceedings
of the 13th International Symposium on Highly Efficient Accelerators and Reconfigurable
Technologies (HEART). https://doi.org/10.1145/3597031.3597050
bibtex: '@inproceedings{Opdenhövel_Plessl_Kenter_2023, title={Mutation Tree Reconstruction
of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation}, DOI={10.1145/3597031.3597050},
booktitle={Proceedings of the 13th International Symposium on Highly Efficient
Accelerators and Reconfigurable Technologies (HEART)}, publisher={ACM}, author={Opdenhövel,
Jan-Oliver and Plessl, Christian and Kenter, Tobias}, year={2023} }'
chicago: Opdenhövel, Jan-Oliver, Christian Plessl, and Tobias Kenter. “Mutation
Tree Reconstruction of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation.”
In Proceedings of the 13th International Symposium on Highly Efficient Accelerators
and Reconfigurable Technologies (HEART). ACM, 2023. https://doi.org/10.1145/3597031.3597050.
ieee: 'J.-O. Opdenhövel, C. Plessl, and T. Kenter, “Mutation Tree Reconstruction
of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation,” 2023, doi: 10.1145/3597031.3597050.'
mla: Opdenhövel, Jan-Oliver, et al. “Mutation Tree Reconstruction of Tumor Cells
on FPGAs Using a Bit-Level Matrix Representation.” Proceedings of the 13th
International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies
(HEART), ACM, 2023, doi:10.1145/3597031.3597050.
short: 'J.-O. Opdenhövel, C. Plessl, T. Kenter, in: Proceedings of the 13th International
Symposium on Highly Efficient Accelerators and Reconfigurable Technologies (HEART),
ACM, 2023.'
date_created: 2023-07-28T09:49:23Z
date_updated: 2025-11-04T09:32:30Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3597031.3597050
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/pdf/10.1145/3597031.3597050
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the 13th International Symposium on Highly Efficient Accelerators
and Reconfigurable Technologies (HEART)
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: Mutation Tree Reconstruction of Tumor Cells on FPGAs Using a Bit-Level Matrix
Representation
type: conference
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: '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: '54849'
abstract:
- lang: eng
text: The third‐order susceptibility of lithium
niobate (LiNbO3) is calculated within a Berry‐phase formulation
of the dynamical polarization based on the electronic structure obtained within
density‐functional theory (DFT). Maximum values of the order of m V are calculated
for photon energies between 1.2 and 2 eV, i.e., in the lower half of the optical
bandgap of lithium niobate. Both free and bound electron (bi)polarons are found
to lead to a remarkable enhancement of the third‐order susceptibility for photon
energies below 1 eV.
author:
- first_name: Agnieszka L.
full_name: Kozub, Agnieszka L.
last_name: Kozub
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Kozub AL, Gerstmann U, Schmidt WG. Third‐Order Susceptibility of Lithium Niobate:
Influence of Polarons and Bipolarons. physica status solidi (b). 2022;260(2).
doi:10.1002/pssb.202200453'
apa: 'Kozub, A. L., Gerstmann, U., & Schmidt, W. G. (2022). Third‐Order Susceptibility
of Lithium Niobate: Influence of Polarons and Bipolarons. Physica Status Solidi
(b), 260(2). https://doi.org/10.1002/pssb.202200453'
bibtex: '@article{Kozub_Gerstmann_Schmidt_2022, title={Third‐Order Susceptibility
of Lithium Niobate: Influence of Polarons and Bipolarons}, volume={260}, DOI={10.1002/pssb.202200453}, number={2},
journal={physica status solidi (b)}, publisher={Wiley}, author={Kozub, Agnieszka
L. and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022} }'
chicago: 'Kozub, Agnieszka L., Uwe Gerstmann, and Wolf Gero Schmidt. “Third‐Order
Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons.” Physica
Status Solidi (b) 260, no. 2 (2022). https://doi.org/10.1002/pssb.202200453.'
ieee: 'A. L. Kozub, U. Gerstmann, and W. G. Schmidt, “Third‐Order Susceptibility
of Lithium Niobate: Influence of Polarons and Bipolarons,” physica status solidi
(b), vol. 260, no. 2, 2022, doi: 10.1002/pssb.202200453.'
mla: 'Kozub, Agnieszka L., et al. “Third‐Order Susceptibility of Lithium Niobate:
Influence of Polarons and Bipolarons.” Physica Status Solidi (b), vol.
260, no. 2, Wiley, 2022, doi:10.1002/pssb.202200453.'
short: A.L. Kozub, U. Gerstmann, W.G. Schmidt, Physica Status Solidi (b) 260 (2022).
date_created: 2024-06-24T05:59:11Z
date_updated: 2024-06-24T06:02:58Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1002/pssb.202200453
intvolume: ' 260'
issue: '2'
language:
- iso: eng
project:
- _id: '53'
grant_number: '231447078'
name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
Konzepten zu funktionellen Strukturen'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: physica status solidi (b)
publication_identifier:
issn:
- 0370-1972
- 1521-3951
publication_status: published
publisher: Wiley
status: public
title: 'Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons'
type: journal_article
user_id: '16199'
volume: 260
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'
...