---
_id: '46121'
article_number: '094505'
author:
- first_name: Luis
full_name: Altenkort, Luis
last_name: Altenkort
- first_name: Alexander M.
full_name: Eller, Alexander M.
last_name: Eller
- first_name: O.
full_name: Kaczmarek, O.
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Guy D.
full_name: Moore, Guy D.
last_name: Moore
- first_name: Hai-Tao
full_name: Shu, Hai-Tao
last_name: Shu
citation:
ama: Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Lattice QCD
noise reduction for bosonic correlators through blocking. Physical Review D.
2022;105(9). doi:10.1103/physrevd.105.094505
apa: Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &
Shu, H.-T. (2022). Lattice QCD noise reduction for bosonic correlators through
blocking. Physical Review D, 105(9), Article 094505. https://doi.org/10.1103/physrevd.105.094505
bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2022, title={Lattice
QCD noise reduction for bosonic correlators through blocking}, volume={105}, DOI={10.1103/physrevd.105.094505},
number={9094505}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and
Mazur, Lukas and Moore, Guy D. and Shu, Hai-Tao}, year={2022} }'
chicago: Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D.
Moore, and Hai-Tao Shu. “Lattice QCD Noise Reduction for Bosonic Correlators through
Blocking.” Physical Review D 105, no. 9 (2022). https://doi.org/10.1103/physrevd.105.094505.
ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T.
Shu, “Lattice QCD noise reduction for bosonic correlators through blocking,” Physical
Review D, vol. 105, no. 9, Art. no. 094505, 2022, doi: 10.1103/physrevd.105.094505.'
mla: Altenkort, Luis, et al. “Lattice QCD Noise Reduction for Bosonic Correlators
through Blocking.” Physical Review D, vol. 105, no. 9, 094505, American
Physical Society (APS), 2022, doi:10.1103/physrevd.105.094505.
short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu,
Physical Review D 105 (2022).
date_created: 2023-07-24T10:58:37Z
date_updated: 2023-07-26T09:23:17Z
department:
- _id: '27'
doi: 10.1103/physrevd.105.094505
intvolume: ' 105'
issue: '9'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Lattice QCD noise reduction for bosonic correlators through blocking
type: journal_article
user_id: '90492'
volume: 105
year: '2022'
...
---
_id: '33493'
abstract:
- lang: eng
text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
insights into a range of physical and chemical properties of various\r\nmolecular
and solid-state systems. Their importance to various fields,\r\nincluding materials
science, chemical sciences, computational chemistry and\r\ndevice physics, is
underscored by the large fraction of available public\r\nsupercomputing resources
devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
order to realize these promises, the\r\ncommunity of electronic structure software
developers will however first have\r\nto tackle a number of challenges pertaining
to the efficient use of new\r\narchitectures that will rely heavily on massive
parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
of the state-of-the-art in\r\nelectronic structure calculations and of the various
new directions being\r\npursued by the community. It covers 14 electronic structure
codes, presenting\r\ntheir current status, their development priorities over the
next five years,\r\nand their plans towards tackling the challenges and leveraging
the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
full_name: Gavini, Vikram
last_name: Gavini
- first_name: Stefano
full_name: Baroni, Stefano
last_name: Baroni
- first_name: Volker
full_name: Blum, Volker
last_name: Blum
- first_name: David R.
full_name: Bowler, David R.
last_name: Bowler
- first_name: Alexander
full_name: Buccheri, Alexander
last_name: Buccheri
- first_name: James R.
full_name: Chelikowsky, James R.
last_name: Chelikowsky
- first_name: Sambit
full_name: Das, Sambit
last_name: Das
- first_name: William
full_name: Dawson, William
last_name: Dawson
- first_name: Pietro
full_name: Delugas, Pietro
last_name: Delugas
- first_name: Mehmet
full_name: Dogan, Mehmet
last_name: Dogan
- first_name: Claudia
full_name: Draxl, Claudia
last_name: Draxl
- first_name: Giulia
full_name: Galli, Giulia
last_name: Galli
- first_name: Luigi
full_name: Genovese, Luigi
last_name: Genovese
- first_name: Paolo
full_name: Giannozzi, Paolo
last_name: Giannozzi
- first_name: Matteo
full_name: Giantomassi, Matteo
last_name: Giantomassi
- first_name: Xavier
full_name: Gonze, Xavier
last_name: Gonze
- first_name: Marco
full_name: Govoni, Marco
last_name: Govoni
- first_name: Andris
full_name: Gulans, Andris
last_name: Gulans
- first_name: François
full_name: Gygi, François
last_name: Gygi
- first_name: John M.
full_name: Herbert, John M.
last_name: Herbert
- first_name: Sebastian
full_name: Kokott, Sebastian
last_name: Kokott
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Kai-Hsin
full_name: Liou, Kai-Hsin
last_name: Liou
- first_name: Tsuyoshi
full_name: Miyazaki, Tsuyoshi
last_name: Miyazaki
- first_name: Phani
full_name: Motamarri, Phani
last_name: Motamarri
- first_name: Ayako
full_name: Nakata, Ayako
last_name: Nakata
- first_name: John E.
full_name: Pask, John E.
last_name: Pask
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Laura E.
full_name: Ratcliff, Laura E.
last_name: Ratcliff
- first_name: Ryan M.
full_name: Richard, Ryan M.
last_name: Richard
- first_name: Mariana
full_name: Rossi, Mariana
last_name: Rossi
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Matthias
full_name: Scheffler, Matthias
last_name: Scheffler
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Phanish
full_name: Suryanarayana, Phanish
last_name: Suryanarayana
- first_name: Marc
full_name: Torrent, Marc
last_name: Torrent
- first_name: Lionel
full_name: Truflandier, Lionel
last_name: Truflandier
- first_name: Theresa L.
full_name: Windus, Theresa L.
last_name: Windus
- first_name: Qimen
full_name: Xu, Qimen
last_name: Xu
- first_name: Victor W. -Z.
full_name: Yu, Victor W. -Z.
last_name: Yu
- first_name: Danny
full_name: Perez, Danny
last_name: Perez
citation:
ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
the Exascale Era. arXiv:220912747. Published online 2022.
apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
… Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
In arXiv:2209.12747.
bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
ieee: V. Gavini et al., “Roadmap on Electronic Structure Codes in the Exascale
Era,” arXiv:2209.12747. 2022.
mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
Era.” ArXiv:2209.12747, 2022.
short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
Perez, ArXiv:2209.12747 (2022).
date_created: 2022-09-28T05:25:10Z
date_updated: 2023-07-28T08:03:41Z
department:
- _id: '27'
- _id: '518'
external_id:
arxiv:
- '2209.12747'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '24135'
year: '2022'
...
---
_id: '46193'
author:
- first_name: Martin
full_name: Karp, Martin
last_name: Karp
- first_name: Artur
full_name: Podobas, Artur
last_name: Podobas
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Niclas
full_name: Jansson, Niclas
last_name: Jansson
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Philipp
full_name: Schlatter, Philipp
last_name: Schlatter
- first_name: Stefano
full_name: Markidis, Stefano
last_name: Markidis
citation:
ama: 'Karp M, Podobas A, Kenter T, et al. A High-Fidelity Flow Solver for Unstructured
Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.
In: International Conference on High Performance Computing in Asia-Pacific
Region. ACM; 2022. doi:10.1145/3492805.3492808'
apa: 'Karp, M., Podobas, A., Kenter, T., Jansson, N., Plessl, C., Schlatter, P.,
& Markidis, S. (2022). A High-Fidelity Flow Solver for Unstructured Meshes
on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.
International Conference on High Performance Computing in Asia-Pacific Region.
https://doi.org/10.1145/3492805.3492808'
bibtex: '@inproceedings{Karp_Podobas_Kenter_Jansson_Plessl_Schlatter_Markidis_2022,
title={A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable
Gate Arrays: Design, Evaluation, and Future Challenges}, DOI={10.1145/3492805.3492808},
booktitle={International Conference on High Performance Computing in Asia-Pacific
Region}, publisher={ACM}, author={Karp, Martin and Podobas, Artur and Kenter,
Tobias and Jansson, Niclas and Plessl, Christian and Schlatter, Philipp and Markidis,
Stefano}, year={2022} }'
chicago: 'Karp, Martin, Artur Podobas, Tobias Kenter, Niclas Jansson, Christian
Plessl, Philipp Schlatter, and Stefano Markidis. “A High-Fidelity Flow Solver
for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation,
and Future Challenges.” In International Conference on High Performance Computing
in Asia-Pacific Region. ACM, 2022. https://doi.org/10.1145/3492805.3492808.'
ieee: 'M. Karp et al., “A High-Fidelity Flow Solver for Unstructured Meshes
on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges,”
2022, doi: 10.1145/3492805.3492808.'
mla: 'Karp, Martin, et al. “A High-Fidelity Flow Solver for Unstructured Meshes
on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.”
International Conference on High Performance Computing in Asia-Pacific Region,
ACM, 2022, doi:10.1145/3492805.3492808.'
short: 'M. Karp, A. Podobas, T. Kenter, N. Jansson, C. Plessl, P. Schlatter, S.
Markidis, in: International Conference on High Performance Computing in Asia-Pacific
Region, ACM, 2022.'
date_created: 2023-07-28T11:51:55Z
date_updated: 2023-07-28T11:53:15Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3492805.3492808
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/pdf/10.1145/3492805.3492808
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: International Conference on High Performance Computing in Asia-Pacific
Region
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: 'A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable
Gate Arrays: Design, Evaluation, and Future Challenges'
type: conference
user_id: '3145'
year: '2022'
...
---
_id: '32404'
abstract:
- lang: eng
text: "The CP2K program package, which can be considered as the swiss army knife
of\r\natomistic simulations, is presented with a special emphasis on ab-initio\r\nmolecular
dynamics using the second-generation Car-Parrinello method. After\r\noutlining
current and near-term development efforts with regards to massively\r\nparallel
low-scaling post-Hartree-Fock and eigenvalue solvers, novel approaches\r\non how
we plan to take full advantage of future low-precision hardware\r\narchitectures
are introduced. Our focus here is on combining our submatrix\r\nmethod with the
approximate computing paradigm to address the immanent exascale\r\nera."
author:
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
citation:
ama: Kühne T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. arXiv:220514741.
Published online 2022.
apa: Kühne, T., Plessl, C., Schade, R., & Schütt, O. (2022). CP2K on the road
to exascale. In arXiv:2205.14741.
bibtex: '@article{Kühne_Plessl_Schade_Schütt_2022, title={CP2K on the road to exascale},
journal={arXiv:2205.14741}, author={Kühne, Thomas and Plessl, Christian and Schade,
Robert and Schütt, Ole}, year={2022} }'
chicago: Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CP2K on
the Road to Exascale.” ArXiv:2205.14741, 2022.
ieee: T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,”
arXiv:2205.14741. 2022.
mla: Kühne, Thomas, et al. “CP2K on the Road to Exascale.” ArXiv:2205.14741,
2022.
short: T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
date_created: 2022-07-22T08:14:08Z
date_updated: 2023-08-02T14:55:35Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
external_id:
arxiv:
- '2205.14741'
language:
- iso: eng
main_file_link:
- url: https://arxiv.org/abs/2205.14741
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2205.14741
status: public
title: CP2K on the road to exascale
type: preprint
user_id: '75963'
year: '2022'
...
---
_id: '33226'
abstract:
- lang: eng
text: A parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical
ground-state energy problem on gate-based quantum computers is presented. This
approach is based on the reduced density-matrix functional theory (RDMFT) formulation
of the electronic structure problem. For that purpose, the density-matrix functional
of the full system is decomposed into an indirectly coupled sum of density-matrix
functionals for all its subsystems using the adaptive cluster approximation to
RDMFT. The approximations involved in the decomposition and the adaptive cluster
approximation itself can be systematically converged to the exact result. The
solutions for the density-matrix functionals of the effective subsystems involves
a constrained minimization over many-particle states that are approximated by
parametrized trial states on the quantum computer similarly to the variational
quantum eigensolver. The independence of the density-matrix functionals of the
effective subsystems introduces a new level of parallelization and allows for
the computational treatment of much larger molecules on a quantum computer with
a given qubit count. In addition, for the proposed algorithm techniques are presented
to reduce the qubit count, the number of quantum programs, as well as its depth.
The evaluation of a density-matrix functional as the essential part of our approach
is demonstrated for Hubbard-like systems on IBM quantum computers based on superconducting
transmon qubits.
article_type: original
author:
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Carsten
full_name: Bauer, Carsten
id: '90082'
last_name: Bauer
- first_name: Konstantin
full_name: Tamoev, Konstantin
id: '50177'
last_name: Tamoev
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry
on noisy intermediate-scale quantum computers. Phys Rev Research. 2022;4:033160.
doi:10.1103/PhysRevResearch.4.033160
apa: Schade, R., Bauer, C., Tamoev, K., Mazur, L., Plessl, C., & Kühne, T. (2022).
Parallel quantum chemistry on noisy intermediate-scale quantum computers. Phys.
Rev. Research, 4, 033160. https://doi.org/10.1103/PhysRevResearch.4.033160
bibtex: '@article{Schade_Bauer_Tamoev_Mazur_Plessl_Kühne_2022, title={Parallel quantum
chemistry on noisy intermediate-scale quantum computers}, volume={4}, DOI={10.1103/PhysRevResearch.4.033160},
journal={Phys. Rev. Research}, publisher={American Physical Society}, author={Schade,
Robert and Bauer, Carsten and Tamoev, Konstantin and Mazur, Lukas and Plessl,
Christian and Kühne, Thomas}, year={2022}, pages={033160} }'
chicago: 'Schade, Robert, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian
Plessl, and Thomas Kühne. “Parallel Quantum Chemistry on Noisy Intermediate-Scale
Quantum Computers.” Phys. Rev. Research 4 (2022): 033160. https://doi.org/10.1103/PhysRevResearch.4.033160.'
ieee: 'R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, and T. Kühne, “Parallel
quantum chemistry on noisy intermediate-scale quantum computers,” Phys. Rev.
Research, vol. 4, p. 033160, 2022, doi: 10.1103/PhysRevResearch.4.033160.'
mla: Schade, Robert, et al. “Parallel Quantum Chemistry on Noisy Intermediate-Scale
Quantum Computers.” Phys. Rev. Research, vol. 4, American Physical Society,
2022, p. 033160, doi:10.1103/PhysRevResearch.4.033160.
short: R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev.
Research 4 (2022) 033160.
date_created: 2022-08-29T14:07:01Z
date_updated: 2023-08-02T15:04:22Z
department:
- _id: '27'
- _id: '518'
doi: 10.1103/PhysRevResearch.4.033160
intvolume: ' 4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.4.033160
oa: '1'
page: '033160'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Phys. Rev. Research
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Parallel quantum chemistry on noisy intermediate-scale quantum computers
type: journal_article
user_id: '75963'
volume: 4
year: '2022'
...
---
_id: '46275'
abstract:
- lang: eng
text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
insights into a range of physical and chemical properties of various\r\nmolecular
and solid-state systems. Their importance to various fields,\r\nincluding materials
science, chemical sciences, computational chemistry and\r\ndevice physics, is
underscored by the large fraction of available public\r\nsupercomputing resources
devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
order to realize these promises, the\r\ncommunity of electronic structure software
developers will however first have\r\nto tackle a number of challenges pertaining
to the efficient use of new\r\narchitectures that will rely heavily on massive
parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
of the state-of-the-art in\r\nelectronic structure calculations and of the various
new directions being\r\npursued by the community. It covers 14 electronic structure
codes, presenting\r\ntheir current status, their development priorities over the
next five years,\r\nand their plans towards tackling the challenges and leveraging
the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
full_name: Gavini, Vikram
last_name: Gavini
- first_name: Stefano
full_name: Baroni, Stefano
last_name: Baroni
- first_name: Volker
full_name: Blum, Volker
last_name: Blum
- first_name: David R.
full_name: Bowler, David R.
last_name: Bowler
- first_name: Alexander
full_name: Buccheri, Alexander
last_name: Buccheri
- first_name: James R.
full_name: Chelikowsky, James R.
last_name: Chelikowsky
- first_name: Sambit
full_name: Das, Sambit
last_name: Das
- first_name: William
full_name: Dawson, William
last_name: Dawson
- first_name: Pietro
full_name: Delugas, Pietro
last_name: Delugas
- first_name: Mehmet
full_name: Dogan, Mehmet
last_name: Dogan
- first_name: Claudia
full_name: Draxl, Claudia
last_name: Draxl
- first_name: Giulia
full_name: Galli, Giulia
last_name: Galli
- first_name: Luigi
full_name: Genovese, Luigi
last_name: Genovese
- first_name: Paolo
full_name: Giannozzi, Paolo
last_name: Giannozzi
- first_name: Matteo
full_name: Giantomassi, Matteo
last_name: Giantomassi
- first_name: Xavier
full_name: Gonze, Xavier
last_name: Gonze
- first_name: Marco
full_name: Govoni, Marco
last_name: Govoni
- first_name: Andris
full_name: Gulans, Andris
last_name: Gulans
- first_name: François
full_name: Gygi, François
last_name: Gygi
- first_name: John M.
full_name: Herbert, John M.
last_name: Herbert
- first_name: Sebastian
full_name: Kokott, Sebastian
last_name: Kokott
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Kai-Hsin
full_name: Liou, Kai-Hsin
last_name: Liou
- first_name: Tsuyoshi
full_name: Miyazaki, Tsuyoshi
last_name: Miyazaki
- first_name: Phani
full_name: Motamarri, Phani
last_name: Motamarri
- first_name: Ayako
full_name: Nakata, Ayako
last_name: Nakata
- first_name: John E.
full_name: Pask, John E.
last_name: Pask
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Laura E.
full_name: Ratcliff, Laura E.
last_name: Ratcliff
- first_name: Ryan M.
full_name: Richard, Ryan M.
last_name: Richard
- first_name: Mariana
full_name: Rossi, Mariana
last_name: Rossi
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Matthias
full_name: Scheffler, Matthias
last_name: Scheffler
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Phanish
full_name: Suryanarayana, Phanish
last_name: Suryanarayana
- first_name: Marc
full_name: Torrent, Marc
last_name: Torrent
- first_name: Lionel
full_name: Truflandier, Lionel
last_name: Truflandier
- first_name: Theresa L.
full_name: Windus, Theresa L.
last_name: Windus
- first_name: Qimen
full_name: Xu, Qimen
last_name: Xu
- first_name: Victor W. -Z.
full_name: Yu, Victor W. -Z.
last_name: Yu
- first_name: Danny
full_name: Perez, Danny
last_name: Perez
citation:
ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
the Exascale Era. arXiv:220912747. Published online 2022.
apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
… Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
In arXiv:2209.12747.
bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
ieee: V. Gavini et al., “Roadmap on Electronic Structure Codes in the Exascale
Era,” arXiv:2209.12747. 2022.
mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
Era.” ArXiv:2209.12747, 2022.
short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
Perez, ArXiv:2209.12747 (2022).
date_created: 2023-08-02T14:59:18Z
date_updated: 2023-08-02T15:00:47Z
department:
- _id: '27'
external_id:
arxiv:
- '2209.12747'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '75963'
year: '2022'
...
---
_id: '33684'
article_number: '102920'
author:
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Alfio
full_name: Lazzaro, Alfio
last_name: Lazzaro
- first_name: Hans
full_name: Pabst, Hans
last_name: Pabst
- first_name: Stephan
full_name: Mohr, Stephan
last_name: Mohr
- first_name: Jürg
full_name: Hutter, Jürg
last_name: Hutter
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based
ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel
Computing. 2022;111. doi:10.1016/j.parco.2022.102920
apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst,
H., Mohr, S., Hutter, J., Kühne, T., & Plessl, C. (2022). Towards electronic
structure-based ab-initio molecular dynamics simulations with hundreds of millions
of atoms. Parallel Computing, 111, Article 102920. https://doi.org/10.1016/j.parco.2022.102920
bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et
al._2022, title={Towards electronic structure-based ab-initio molecular dynamics
simulations with hundreds of millions of atoms}, volume={111}, DOI={10.1016/j.parco.2022.102920},
number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade,
Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt,
Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and
Kühne, Thomas and et al.}, year={2022} }'
chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt,
Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio
Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel
Computing 111 (2022). https://doi.org/10.1016/j.parco.2022.102920.
ieee: 'R. Schade et al., “Towards electronic structure-based ab-initio molecular
dynamics simulations with hundreds of millions of atoms,” Parallel Computing,
vol. 111, Art. no. 102920, 2022, doi: 10.1016/j.parco.2022.102920.'
mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular
Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing,
vol. 111, 102920, Elsevier BV, 2022, doi:10.1016/j.parco.2022.102920.
short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst,
S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
date_created: 2022-10-11T08:17:02Z
date_updated: 2023-08-02T15:03:55Z
department:
- _id: '613'
- _id: '27'
- _id: '518'
doi: 10.1016/j.parco.2022.102920
intvolume: ' 111'
keyword:
- Artificial Intelligence
- Computer Graphics and Computer-Aided Design
- Computer Networks and Communications
- Hardware and Architecture
- Theoretical Computer Science
- Software
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://www.sciencedirect.com/science/article/pii/S0167819122000242
oa: '1'
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Parallel Computing
publication_identifier:
issn:
- 0167-8191
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Towards electronic structure-based ab-initio molecular dynamics simulations
with hundreds of millions of atoms
type: journal_article
user_id: '75963'
volume: 111
year: '2022'
...
---
_id: '27364'
author:
- first_name: Marius
full_name: Meyer, Marius
id: '40778'
last_name: Meyer
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: Meyer M, Kenter T, Plessl C. In-depth FPGA Accelerator Performance Evaluation
with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and
Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed Computing.
Published online 2022. doi:10.1016/j.jpdc.2021.10.007
apa: Meyer, M., Kenter, T., & Plessl, C. (2022). In-depth FPGA Accelerator Performance
Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
for Intel and Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed
Computing. https://doi.org/10.1016/j.jpdc.2021.10.007
bibtex: '@article{Meyer_Kenter_Plessl_2022, title={In-depth FPGA Accelerator Performance
Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
for Intel and Xilinx FPGAs using OpenCL}, DOI={10.1016/j.jpdc.2021.10.007},
journal={Journal of Parallel and Distributed Computing}, author={Meyer, Marius
and Kenter, Tobias and Plessl, Christian}, year={2022} }'
chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “In-Depth FPGA Accelerator
Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark
Suite for Intel and Xilinx FPGAs Using OpenCL.” Journal of Parallel and Distributed
Computing, 2022. https://doi.org/10.1016/j.jpdc.2021.10.007.
ieee: 'M. Meyer, T. Kenter, and C. Plessl, “In-depth FPGA Accelerator Performance
Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
for Intel and Xilinx FPGAs using OpenCL,” Journal of Parallel and Distributed
Computing, 2022, doi: 10.1016/j.jpdc.2021.10.007.'
mla: Meyer, Marius, et al. “In-Depth FPGA Accelerator Performance Evaluation with
Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx
FPGAs Using OpenCL.” Journal of Parallel and Distributed Computing, 2022,
doi:10.1016/j.jpdc.2021.10.007.
short: M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing
(2022).
date_created: 2021-11-10T14:36:27Z
date_updated: 2023-09-26T10:26:56Z
department:
- _id: '27'
- _id: '518'
doi: 10.1016/j.jpdc.2021.10.007
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Parallel and Distributed Computing
publication_identifier:
issn:
- 0743-7315
publication_status: published
quality_controlled: '1'
status: public
title: In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks
from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL
type: journal_article
user_id: '15278'
year: '2022'
...
---
_id: '50146'
abstract:
- lang: eng
text: "Recent advances in numerical methods significantly pushed forward the\r\nunderstanding
of electrons coupled to quantized lattice vibrations. At this\r\nstage, it becomes
increasingly important to also account for the effects of\r\nphysically inevitable
environments. In particular, we study the transport\r\nproperties of the Hubbard-Holstein
Hamiltonian that models a large class of\r\nmaterials characterized by strong
electron-phonon coupling, in contact with a\r\ndissipative environment. Even in
the one-dimensional and isolated case,\r\nsimulating the quantum dynamics of such
a system with high accuracy is very\r\nchallenging due to the infinite dimensionality
of the phononic Hilbert spaces.\r\nFor this reason, the effects of dissipation
on the conductance properties of\r\nsuch systems have not been investigated systematically
so far. We combine the\r\nnon-Markovian hierarchy of pure states method and the
Markovian quantum jumps\r\nmethod with the newly introduced projected purified
density-matrix\r\nrenormalization group, creating powerful tensor-network methods
for dissipative\r\nquantum many-body systems. Investigating their numerical properties,
we find a\r\nsignificant speedup up to a factor $\\sim 30$ compared to conventional\r\ntensor-network
techniques. We apply these methods to study dissipative\r\nquenches, aiming for
an in-depth understanding of the formation, stability, and\r\nquasi-particle properties
of bipolarons. Surprisingly, our results show that in\r\nthe metallic phase dissipation
localizes the bipolarons, which is reminiscent\r\nof an indirect quantum Zeno
effect. However, the bipolaronic binding energy\r\nremains mainly unaffected,
even in the presence of strong dissipation,\r\nexhibiting remarkable bipolaron
stability. These findings shed light on the\r\nproblem of designing real materials
exhibiting phonon-mediated\r\nhigh-$T_\\mathrm{C}$ superconductivity."
author:
- first_name: Mattia
full_name: Moroder, Mattia
last_name: Moroder
- first_name: Martin
full_name: Grundner, Martin
last_name: Grundner
- first_name: François
full_name: Damanet, François
last_name: Damanet
- first_name: Ulrich
full_name: Schollwöck, Ulrich
last_name: Schollwöck
- first_name: Sam
full_name: Mardazad, Sam
last_name: Mardazad
- first_name: Stuart
full_name: Flannigan, Stuart
last_name: Flannigan
- first_name: Thomas
full_name: Köhler, Thomas
last_name: Köhler
- first_name: Sebastian
full_name: Paeckel, Sebastian
last_name: Paeckel
citation:
ama: Moroder M, Grundner M, Damanet F, et al. Stable bipolarons in open quantum
systems. Physical Review B 107, 214310 (2023). Published online 2022. doi:10.1103/PhysRevB.107.214310
apa: Moroder, M., Grundner, M., Damanet, F., Schollwöck, U., Mardazad, S., Flannigan,
S., Köhler, T., & Paeckel, S. (2022). Stable bipolarons in open quantum systems.
Physical Review B 107, 214310 (2023). https://doi.org/10.1103/PhysRevB.107.214310
bibtex: '@article{Moroder_Grundner_Damanet_Schollwöck_Mardazad_Flannigan_Köhler_Paeckel_2022,
title={Stable bipolarons in open quantum systems}, DOI={10.1103/PhysRevB.107.214310},
journal={Physical Review B 107, 214310 (2023)}, author={Moroder, Mattia and Grundner,
Martin and Damanet, François and Schollwöck, Ulrich and Mardazad, Sam and Flannigan,
Stuart and Köhler, Thomas and Paeckel, Sebastian}, year={2022} }'
chicago: Moroder, Mattia, Martin Grundner, François Damanet, Ulrich Schollwöck,
Sam Mardazad, Stuart Flannigan, Thomas Köhler, and Sebastian Paeckel. “Stable
Bipolarons in Open Quantum Systems.” Physical Review B 107, 214310 (2023),
2022. https://doi.org/10.1103/PhysRevB.107.214310.
ieee: 'M. Moroder et al., “Stable bipolarons in open quantum systems,” Physical
Review B 107, 214310 (2023), 2022, doi: 10.1103/PhysRevB.107.214310.'
mla: Moroder, Mattia, et al. “Stable Bipolarons in Open Quantum Systems.” Physical
Review B 107, 214310 (2023), 2022, doi:10.1103/PhysRevB.107.214310.
short: M. Moroder, M. Grundner, F. Damanet, U. Schollwöck, S. Mardazad, S. Flannigan,
T. Köhler, S. Paeckel, Physical Review B 107, 214310 (2023) (2022).
date_created: 2024-01-04T08:15:28Z
date_updated: 2024-01-04T08:15:53Z
department:
- _id: '27'
doi: 10.1103/PhysRevB.107.214310
external_id:
arxiv:
- '2207.08243'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review B 107, 214310 (2023)
status: public
title: Stable bipolarons in open quantum systems
type: journal_article
user_id: '67287'
year: '2022'
...
---
_id: '50148'
abstract:
- lang: eng
text: "We develop a general decomposition of an ensemble of initial density profiles\r\nin
terms of an average state and a basis of modes that represent the\r\nevent-by-event
fluctuations of the initial state. The basis is determined such\r\nthat the probability
distributions of the amplitudes of different modes are\r\nuncorrelated. Based
on this decomposition, we quantify the different types and\r\nprobabilities of
event-by-event fluctuations in Glauber and Saturation models\r\nand investigate
how the various modes affect different characteristics of the\r\ninitial state.
We perform simulations of the dynamical evolution with KoMPoST\r\nand MUSIC to
investigate the impact of the modes on final-state observables and\r\ntheir correlations."
author:
- first_name: Nicolas
full_name: Borghini, Nicolas
last_name: Borghini
- first_name: Marc
full_name: Borrell, Marc
last_name: Borrell
- first_name: Nina
full_name: Feld, Nina
last_name: Feld
- first_name: Hendrik
full_name: Roch, Hendrik
last_name: Roch
- first_name: Sören
full_name: Schlichting, Sören
last_name: Schlichting
- first_name: Clemens
full_name: Werthmann, Clemens
last_name: Werthmann
citation:
ama: Borghini N, Borrell M, Feld N, Roch H, Schlichting S, Werthmann C. Statistical
analysis of initial state and final state response in heavy-ion collisions. Phys
Rev C 107 (2023) 034905. Published online 2022. doi:10.1103/PhysRevC.107.034905
apa: Borghini, N., Borrell, M., Feld, N., Roch, H., Schlichting, S., & Werthmann,
C. (2022). Statistical analysis of initial state and final state response in
heavy-ion collisions. Phys. Rev. C 107 (2023) 034905. https://doi.org/10.1103/PhysRevC.107.034905
bibtex: '@article{Borghini_Borrell_Feld_Roch_Schlichting_Werthmann_2022, title={Statistical
analysis of initial state and final state response in heavy-ion collisions},
DOI={10.1103/PhysRevC.107.034905},
journal={Phys. Rev. C 107 (2023) 034905}, author={Borghini, Nicolas and Borrell,
Marc and Feld, Nina and Roch, Hendrik and Schlichting, Sören and Werthmann, Clemens},
year={2022} }'
chicago: Borghini, Nicolas, Marc Borrell, Nina Feld, Hendrik Roch, Sören Schlichting,
and Clemens Werthmann. “Statistical Analysis of Initial State and Final State
Response in Heavy-Ion Collisions.” Phys. Rev. C 107 (2023) 034905, 2022.
https://doi.org/10.1103/PhysRevC.107.034905.
ieee: 'N. Borghini, M. Borrell, N. Feld, H. Roch, S. Schlichting, and C. Werthmann,
“Statistical analysis of initial state and final state response in heavy-ion
collisions,” Phys. Rev. C 107 (2023) 034905, 2022, doi: 10.1103/PhysRevC.107.034905.'
mla: Borghini, Nicolas, et al. “Statistical Analysis of Initial State and Final
State Response in Heavy-Ion Collisions.” Phys. Rev. C 107 (2023) 034905,
2022, doi:10.1103/PhysRevC.107.034905.
short: N. Borghini, M. Borrell, N. Feld, H. Roch, S. Schlichting, C. Werthmann,
Phys. Rev. C 107 (2023) 034905 (2022).
date_created: 2024-01-04T08:18:29Z
date_updated: 2024-01-04T08:18:45Z
department:
- _id: '27'
doi: 10.1103/PhysRevC.107.034905
external_id:
arxiv:
- '2209.01176'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Phys. Rev. C 107 (2023) 034905
status: public
title: Statistical analysis of initial state and final state response in heavy-ion
collisions
type: journal_article
user_id: '67287'
year: '2022'
...
---
_id: '50149'
abstract:
- lang: eng
text: "Abstract\r\n RNA editing processes
are strikingly different in animals and plants. Up to thousands of specific cytidines
are converted into uridines in plant chloroplasts and mitochondria whereas up
to millions of adenosines are converted into inosines in animal nucleo-cytosolic
RNAs. It is unknown whether these two different RNA editing machineries are mutually
incompatible. RNA-binding pentatricopeptide repeat (PPR) proteins are the key
factors of plant organelle cytidine-to-uridine RNA editing. The complete absence
of PPR mediated editing of cytosolic RNAs might be due to a yet unknown barrier
that prevents its activity in the cytosol. Here, we transferred two plant mitochondrial
PPR-type editing factors into human cell lines to explore whether they could operate
in the nucleo-cytosolic environment. PPR56 and PPR65 not only faithfully edited
their native, co-transcribed targets but also different sets of off-targets in
the human background transcriptome. More than 900 of such off-targets with editing
efficiencies up to 91%, largely explained by known PPR-RNA binding properties,
were identified for PPR56. Engineering two crucial amino acid positions in its
PPR array led to predictable shifts in target recognition. We conclude that plant
PPR editing factors can operate in the entirely different genetic environment
of the human nucleo-cytosol and can be intentionally re-engineered towards new
targets."
author:
- first_name: Elena
full_name: Lesch, Elena
last_name: Lesch
- first_name: Maximilian T
full_name: Schilling, Maximilian T
last_name: Schilling
- first_name: Sarah
full_name: Brenner, Sarah
last_name: Brenner
- first_name: Yingying
full_name: Yang, Yingying
last_name: Yang
- first_name: Oliver J
full_name: Gruss, Oliver J
last_name: Gruss
- first_name: Volker
full_name: Knoop, Volker
last_name: Knoop
- first_name: Mareike
full_name: Schallenberg-Rüdinger, Mareike
last_name: Schallenberg-Rüdinger
citation:
ama: Lesch E, Schilling MT, Brenner S, et al. Plant mitochondrial RNA editing factors
can perform targeted C-to-U editing of nuclear transcripts in human cells. Nucleic
Acids Research. 2022;50(17):9966-9983. doi:10.1093/nar/gkac752
apa: Lesch, E., Schilling, M. T., Brenner, S., Yang, Y., Gruss, O. J., Knoop, V.,
& Schallenberg-Rüdinger, M. (2022). Plant mitochondrial RNA editing factors
can perform targeted C-to-U editing of nuclear transcripts in human cells. Nucleic
Acids Research, 50(17), 9966–9983. https://doi.org/10.1093/nar/gkac752
bibtex: '@article{Lesch_Schilling_Brenner_Yang_Gruss_Knoop_Schallenberg-Rüdinger_2022,
title={Plant mitochondrial RNA editing factors can perform targeted C-to-U editing
of nuclear transcripts in human cells}, volume={50}, DOI={10.1093/nar/gkac752},
number={17}, journal={Nucleic Acids Research}, publisher={Oxford University Press
(OUP)}, author={Lesch, Elena and Schilling, Maximilian T and Brenner, Sarah and
Yang, Yingying and Gruss, Oliver J and Knoop, Volker and Schallenberg-Rüdinger,
Mareike}, year={2022}, pages={9966–9983} }'
chicago: 'Lesch, Elena, Maximilian T Schilling, Sarah Brenner, Yingying Yang, Oliver J
Gruss, Volker Knoop, and Mareike Schallenberg-Rüdinger. “Plant Mitochondrial RNA
Editing Factors Can Perform Targeted C-to-U Editing of Nuclear Transcripts in
Human Cells.” Nucleic Acids Research 50, no. 17 (2022): 9966–83. https://doi.org/10.1093/nar/gkac752.'
ieee: 'E. Lesch et al., “Plant mitochondrial RNA editing factors can perform
targeted C-to-U editing of nuclear transcripts in human cells,” Nucleic Acids
Research, vol. 50, no. 17, pp. 9966–9983, 2022, doi: 10.1093/nar/gkac752.'
mla: Lesch, Elena, et al. “Plant Mitochondrial RNA Editing Factors Can Perform Targeted
C-to-U Editing of Nuclear Transcripts in Human Cells.” Nucleic Acids Research,
vol. 50, no. 17, Oxford University Press (OUP), 2022, pp. 9966–83, doi:10.1093/nar/gkac752.
short: E. Lesch, M.T. Schilling, S. Brenner, Y. Yang, O.J. Gruss, V. Knoop, M. Schallenberg-Rüdinger,
Nucleic Acids Research 50 (2022) 9966–9983.
date_created: 2024-01-04T08:23:01Z
date_updated: 2024-01-04T08:23:13Z
department:
- _id: '27'
doi: 10.1093/nar/gkac752
intvolume: ' 50'
issue: '17'
keyword:
- Genetics
language:
- iso: eng
page: 9966-9983
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Nucleic Acids Research
publication_identifier:
issn:
- 0305-1048
- 1362-4962
publication_status: published
publisher: Oxford University Press (OUP)
status: public
title: Plant mitochondrial RNA editing factors can perform targeted C-to-U editing
of nuclear transcripts in human cells
type: journal_article
user_id: '67287'
volume: 50
year: '2022'
...
---
_id: '28099'
abstract:
- lang: eng
text: N-body methods are one of the essential algorithmic building blocks of high-performance
and parallel computing. Previous research has shown promising performance for
implementing n-body simulations with pairwise force calculations on FPGAs. However,
to avoid challenges with accumulation and memory access patterns, the presented
designs calculate each pair of forces twice, along with both force sums of the
involved particles. Also, they require large problem instances with hundreds of
thousands of particles to reach their respective peak performance, limiting the
applicability for strong scaling scenarios. This work addresses both issues by
presenting a novel FPGA design that uses each calculated force twice and overlaps
data transfers and computations in a way that allows to reach peak performance
even for small problem instances, outperforming previous single precision results
even in double precision, and scaling linearly over multiple interconnected FPGAs.
For a comparison across architectures, we provide an equally optimized CPU reference,
which for large problems actually achieves higher peak performance per device,
however, given the strong scaling advantages of the FPGA design, in parallel setups
with few thousand particles per device, the FPGA platform achieves highest performance
and power efficiency.
article_type: original
author:
- first_name: Johannes
full_name: Menzel, Johannes
last_name: Menzel
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
citation:
ama: Menzel J, Plessl C, Kenter T. The Strong Scaling Advantage of FPGAs in HPC
for N-body Simulations. ACM Transactions on Reconfigurable Technology and Systems.
2021;15(1):1-30. doi:10.1145/3491235
apa: Menzel, J., Plessl, C., & Kenter, T. (2021). The Strong Scaling Advantage
of FPGAs in HPC for N-body Simulations. ACM Transactions on Reconfigurable
Technology and Systems, 15(1), 1–30. https://doi.org/10.1145/3491235
bibtex: '@article{Menzel_Plessl_Kenter_2021, title={The Strong Scaling Advantage
of FPGAs in HPC for N-body Simulations}, volume={15}, DOI={10.1145/3491235},
number={1}, journal={ACM Transactions on Reconfigurable Technology and Systems},
author={Menzel, Johannes and Plessl, Christian and Kenter, Tobias}, year={2021},
pages={1–30} }'
chicago: 'Menzel, Johannes, Christian Plessl, and Tobias Kenter. “The Strong Scaling
Advantage of FPGAs in HPC for N-Body Simulations.” ACM Transactions on Reconfigurable
Technology and Systems 15, no. 1 (2021): 1–30. https://doi.org/10.1145/3491235.'
ieee: 'J. Menzel, C. Plessl, and T. Kenter, “The Strong Scaling Advantage of FPGAs
in HPC for N-body Simulations,” ACM Transactions on Reconfigurable Technology
and Systems, vol. 15, no. 1, pp. 1–30, 2021, doi: 10.1145/3491235.'
mla: Menzel, Johannes, et al. “The Strong Scaling Advantage of FPGAs in HPC for
N-Body Simulations.” ACM Transactions on Reconfigurable Technology and Systems,
vol. 15, no. 1, 2021, pp. 1–30, doi:10.1145/3491235.
short: J. Menzel, C. Plessl, T. Kenter, ACM Transactions on Reconfigurable Technology
and Systems 15 (2021) 1–30.
date_created: 2021-11-30T10:00:31Z
date_updated: 2022-01-06T06:57:51Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3491235
intvolume: ' 15'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://dl.acm.org/doi/10.1145/3491235
oa: '1'
page: 1-30
publication: ACM Transactions on Reconfigurable Technology and Systems
publication_identifier:
issn:
- 1936-7406
- 1936-7414
publication_status: published
quality_controlled: '1'
status: public
title: The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations
type: journal_article
user_id: '3145'
volume: 15
year: '2021'
...
---
_id: '27365'
author:
- first_name: Marius
full_name: Meyer, Marius
id: '40778'
last_name: Meyer
citation:
ama: 'Meyer M. Towards Performance Characterization of FPGAs in Context of HPC using
OpenCL Benchmarks. In: Proceedings of the 11th International Symposium on Highly
Efficient Accelerators and Reconfigurable Technologies. ; 2021. doi:10.1145/3468044.3468058'
apa: Meyer, M. (2021). Towards Performance Characterization of FPGAs in Context
of HPC using OpenCL Benchmarks. Proceedings of the 11th International Symposium
on Highly Efficient Accelerators and Reconfigurable Technologies. https://doi.org/10.1145/3468044.3468058
bibtex: '@inproceedings{Meyer_2021, title={Towards Performance Characterization
of FPGAs in Context of HPC using OpenCL Benchmarks}, DOI={10.1145/3468044.3468058},
booktitle={Proceedings of the 11th International Symposium on Highly Efficient
Accelerators and Reconfigurable Technologies}, author={Meyer, Marius}, year={2021}
}'
chicago: Meyer, Marius. “Towards Performance Characterization of FPGAs in Context
of HPC Using OpenCL Benchmarks.” In Proceedings of the 11th International Symposium
on Highly Efficient Accelerators and Reconfigurable Technologies, 2021. https://doi.org/10.1145/3468044.3468058.
ieee: 'M. Meyer, “Towards Performance Characterization of FPGAs in Context of HPC
using OpenCL Benchmarks,” 2021, doi: 10.1145/3468044.3468058.'
mla: Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of
HPC Using OpenCL Benchmarks.” Proceedings of the 11th International Symposium
on Highly Efficient Accelerators and Reconfigurable Technologies, 2021, doi:10.1145/3468044.3468058.
short: 'M. Meyer, in: Proceedings of the 11th International Symposium on Highly
Efficient Accelerators and Reconfigurable Technologies, 2021.'
date_created: 2021-11-10T14:42:17Z
date_updated: 2022-01-06T06:57:38Z
department:
- _id: '27'
doi: 10.1145/3468044.3468058
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Proceedings of the 11th International Symposium on Highly Efficient Accelerators
and Reconfigurable Technologies
publication_status: published
status: public
title: Towards Performance Characterization of FPGAs in Context of HPC using OpenCL
Benchmarks
type: conference
user_id: '40778'
year: '2021'
...
---
_id: '20886'
author:
- first_name: Tobias
full_name: Nickchen, Tobias
last_name: Nickchen
- first_name: Stefan
full_name: Heindorf, Stefan
last_name: Heindorf
- first_name: Gregor
full_name: Engels, Gregor
last_name: Engels
citation:
ama: 'Nickchen T, Heindorf S, Engels G. Generating Physically Sound Training Data
for Image Recognition of Additively Manufactured Parts. In: Proceedings of
the IEEE/CVF Winter Conference on Applications of Computer Vision. ; 2021:1994-2002.'
apa: Nickchen, T., Heindorf, S., & Engels, G. (2021). Generating Physically
Sound Training Data for Image Recognition of Additively Manufactured Parts. In
Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision
(pp. 1994–2002). Hawaii.
bibtex: '@inproceedings{Nickchen_Heindorf_Engels_2021, title={Generating Physically
Sound Training Data for Image Recognition of Additively Manufactured Parts}, booktitle={Proceedings
of the IEEE/CVF Winter Conference on Applications of Computer Vision}, author={Nickchen,
Tobias and Heindorf, Stefan and Engels, Gregor}, year={2021}, pages={1994–2002}
}'
chicago: Nickchen, Tobias, Stefan Heindorf, and Gregor Engels. “Generating Physically
Sound Training Data for Image Recognition of Additively Manufactured Parts.” In
Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision,
1994–2002, 2021.
ieee: T. Nickchen, S. Heindorf, and G. Engels, “Generating Physically Sound Training
Data for Image Recognition of Additively Manufactured Parts,” in Proceedings
of the IEEE/CVF Winter Conference on Applications of Computer Vision, Hawaii,
2021, pp. 1994–2002.
mla: Nickchen, Tobias, et al. “Generating Physically Sound Training Data for Image
Recognition of Additively Manufactured Parts.” Proceedings of the IEEE/CVF
Winter Conference on Applications of Computer Vision, 2021, pp. 1994–2002.
short: 'T. Nickchen, S. Heindorf, G. Engels, in: Proceedings of the IEEE/CVF Winter
Conference on Applications of Computer Vision, 2021, pp. 1994–2002.'
conference:
end_date: 2021-09-01
location: Hawaii
name: IEEE/CVF Winter Conference on Applications of Computer Vision
start_date: 2021-05-01
date_created: 2021-01-07T15:32:45Z
date_updated: 2022-01-06T06:54:41Z
department:
- _id: '66'
- _id: '534'
- _id: '624'
- _id: '219'
- _id: '27'
language:
- iso: eng
page: 1994-2002
publication: Proceedings of the IEEE/CVF Winter Conference on Applications of Computer
Vision
publication_status: published
status: public
title: Generating Physically Sound Training Data for Image Recognition of Additively
Manufactured Parts
type: conference
user_id: '27340'
year: '2021'
...
---
_id: '32243'
abstract:
- lang: eng
text: "Abstract\r\n The defining
feature of active particles is that they constantly propel themselves by locally
converting chemical energy into directed motion. This active self-propulsion prevents
them from equilibrating with their thermal environment (e.g. an aqueous solution),
thus keeping them permanently out of equilibrium. Nevertheless, the spatial dynamics
of active particles might share certain equilibrium features, in particular in
the steady state. We here focus on the time-reversal symmetry of individual spatial
trajectories as a distinct equilibrium characteristic. We investigate to what
extent the steady-state trajectories of a trapped active particle obey or break
this time-reversal symmetry. Within the framework of active Ornstein–Uhlenbeck
particles we find that the steady-state trajectories in a harmonic potential fulfill
path-wise time-reversal symmetry exactly, while this symmetry is typically broken
in anharmonic potentials."
article_number: '033216'
author:
- first_name: Lennart
full_name: Dabelow, Lennart
last_name: Dabelow
- first_name: Stefano
full_name: Bo, Stefano
last_name: Bo
- first_name: Ralf
full_name: Eichhorn, Ralf
last_name: Eichhorn
citation:
ama: 'Dabelow L, Bo S, Eichhorn R. How irreversible are steady-state trajectories
of a trapped active particle? Journal of Statistical Mechanics: Theory and
Experiment. 2021;2021(3). doi:10.1088/1742-5468/abe6fd'
apa: 'Dabelow, L., Bo, S., & Eichhorn, R. (2021). How irreversible are steady-state
trajectories of a trapped active particle? Journal of Statistical Mechanics:
Theory and Experiment, 2021(3), Article 033216. https://doi.org/10.1088/1742-5468/abe6fd'
bibtex: '@article{Dabelow_Bo_Eichhorn_2021, title={How irreversible are steady-state
trajectories of a trapped active particle?}, volume={2021}, DOI={10.1088/1742-5468/abe6fd},
number={3033216}, journal={Journal of Statistical Mechanics: Theory and Experiment},
publisher={IOP Publishing}, author={Dabelow, Lennart and Bo, Stefano and Eichhorn,
Ralf}, year={2021} }'
chicago: 'Dabelow, Lennart, Stefano Bo, and Ralf Eichhorn. “How Irreversible Are
Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical
Mechanics: Theory and Experiment 2021, no. 3 (2021). https://doi.org/10.1088/1742-5468/abe6fd.'
ieee: 'L. Dabelow, S. Bo, and R. Eichhorn, “How irreversible are steady-state trajectories
of a trapped active particle?,” Journal of Statistical Mechanics: Theory and
Experiment, vol. 2021, no. 3, Art. no. 033216, 2021, doi: 10.1088/1742-5468/abe6fd.'
mla: 'Dabelow, Lennart, et al. “How Irreversible Are Steady-State Trajectories of
a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment,
vol. 2021, no. 3, 033216, IOP Publishing, 2021, doi:10.1088/1742-5468/abe6fd.'
short: 'L. Dabelow, S. Bo, R. Eichhorn, Journal of Statistical Mechanics: Theory
and Experiment 2021 (2021).'
date_created: 2022-06-28T07:27:41Z
date_updated: 2022-06-28T07:28:14Z
department:
- _id: '27'
doi: 10.1088/1742-5468/abe6fd
intvolume: ' 2021'
issue: '3'
keyword:
- Statistics
- Probability and Uncertainty
- Statistics and Probability
- Statistical and Nonlinear Physics
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 'Journal of Statistical Mechanics: Theory and Experiment'
publication_identifier:
issn:
- 1742-5468
publication_status: published
publisher: IOP Publishing
status: public
title: How irreversible are steady-state trajectories of a trapped active particle?
type: journal_article
user_id: '15278'
volume: 2021
year: '2021'
...
---
_id: '32244'
abstract:
- lang: eng
text: "We push the boundaries of electronic structure-based \\textit{ab-initio}\r\nmolecular
dynamics (AIMD) beyond 100 million atoms. This scale is otherwise\r\nbarely reachable
with classical force-field methods or novel neural network and\r\nmachine learning
potentials. We achieve this breakthrough by combining\r\ninnovations in linear-scaling
AIMD, efficient and approximate sparse linear\r\nalgebra, low and mixed-precision
floating-point computation on GPUs, and a\r\ncompensation scheme for the errors
introduced by numerical approximations. The\r\ncore of our work is the non-orthogonalized
local submatrix method (NOLSM),\r\nwhich scales very favorably to massively parallel
computing systems and\r\ntranslates large sparse matrix operations into highly
parallel, dense matrix\r\noperations that are ideally suited to hardware accelerators.
We demonstrate\r\nthat the NOLSM method, which is at the center point of each
AIMD step, is able\r\nto achieve a sustained performance of 324 PFLOP/s in mixed
FP16/FP32 precision\r\ncorresponding to an efficiency of 67.7% when running on
1536 NVIDIA A100 GPUs."
author:
- first_name: Robert
full_name: Schade, Robert
last_name: Schade
- first_name: Tobias
full_name: Kenter, Tobias
last_name: Kenter
- first_name: Hossam
full_name: Elgabarty, Hossam
last_name: Elgabarty
- first_name: Michael
full_name: Lass, Michael
last_name: Lass
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Alfio
full_name: Lazzaro, Alfio
last_name: Lazzaro
- first_name: Hans
full_name: Pabst, Hans
last_name: Pabst
- first_name: Stephan
full_name: Mohr, Stephan
last_name: Mohr
- first_name: Jürg
full_name: Hutter, Jürg
last_name: Hutter
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
last_name: Plessl
citation:
ama: Schade R, Kenter T, Elgabarty H, et al. Towards Electronic Structure-Based
Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.
arXiv:210408245. Published online 2021.
apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst,
H., Mohr, S., Hutter, J., Kühne, T. D., & Plessl, C. (2021). Towards Electronic
Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions
of Atoms. In arXiv:2104.08245.
bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et
al._2021, title={Towards Electronic Structure-Based Ab-Initio Molecular Dynamics
Simulations with Hundreds of Millions of Atoms}, journal={arXiv:2104.08245}, author={Schade,
Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt,
Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and
Kühne, Thomas D. and et al.}, year={2021} }'
chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt,
Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio
Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245,
2021.
ieee: R. Schade et al., “Towards Electronic Structure-Based Ab-Initio Molecular
Dynamics Simulations with Hundreds of Millions of Atoms,” arXiv:2104.08245.
2021.
mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular
Dynamics Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245,
2021.
short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst,
S. Mohr, J. Hutter, T.D. Kühne, C. Plessl, ArXiv:2104.08245 (2021).
date_created: 2022-06-28T07:48:31Z
date_updated: 2022-06-28T07:49:31Z
department:
- _id: '27'
external_id:
arxiv:
- '2104.08245'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2104.08245
status: public
title: Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations
with Hundreds of Millions of Atoms
type: preprint
user_id: '15278'
year: '2021'
...
---
_id: '32245'
abstract:
- lang: eng
text: "Optical travelling wave antennas offer unique opportunities to control and\r\nselectively
guide light into a specific direction which renders them as\r\nexcellent candidates
for optical communication and sensing. These applications\r\nrequire state of
the art engineering to reach optimized functionalities such as\r\nhigh directivity
and radiation efficiency, low side lobe level, broadband and\r\ntunable capabilities,
and compact design. In this work we report on the\r\nnumerical optimization of
the directivity of optical travelling wave antennas\r\nmade from low-loss dielectric
materials using full-wave numerical simulations\r\nin conjunction with a particle
swarm optimization algorithm. The antennas are\r\ncomposed of a reflector and
a director deposited on a glass substrate and an\r\nemitter placed in the feed
gap between them serves as an internal source of\r\nexcitation. In particular,
we analysed antennas with rectangular- and\r\nhorn-shaped directors made of either
Hafnium dioxide or Silicon. The optimized\r\nantennas produce highly directional
emission due to the presence of two\r\ndominant guided TE modes in the director
in addition to leaky modes. These\r\nguided modes dominate the far-field emission
pattern and govern the direction\r\nof the main lobe emission which predominately
originates from the end facet of\r\nthe director. Our work also provides a comprehensive
analysis of the modes,\r\nradiation patterns, parametric influences, and bandwidths
of the antennas that\r\nhighlights their robust nature."
author:
- first_name: Henna
full_name: Farheen, Henna
last_name: Farheen
- first_name: Till
full_name: Leuteritz, Till
last_name: Leuteritz
- first_name: Stefan
full_name: Linden, Stefan
last_name: Linden
- first_name: Viktor
full_name: Myroshnychenko, Viktor
last_name: Myroshnychenko
- first_name: Jens
full_name: Förstner, Jens
last_name: Förstner
citation:
ama: Farheen H, Leuteritz T, Linden S, Myroshnychenko V, Förstner J. Optimization
of optical waveguide antennas for directive emission of light. arXiv:210602468.
Published online 2021.
apa: Farheen, H., Leuteritz, T., Linden, S., Myroshnychenko, V., & Förstner,
J. (2021). Optimization of optical waveguide antennas for directive emission of
light. In arXiv:2106.02468.
bibtex: '@article{Farheen_Leuteritz_Linden_Myroshnychenko_Förstner_2021, title={Optimization
of optical waveguide antennas for directive emission of light}, journal={arXiv:2106.02468},
author={Farheen, Henna and Leuteritz, Till and Linden, Stefan and Myroshnychenko,
Viktor and Förstner, Jens}, year={2021} }'
chicago: Farheen, Henna, Till Leuteritz, Stefan Linden, Viktor Myroshnychenko, and
Jens Förstner. “Optimization of Optical Waveguide Antennas for Directive Emission
of Light.” ArXiv:2106.02468, 2021.
ieee: H. Farheen, T. Leuteritz, S. Linden, V. Myroshnychenko, and J. Förstner, “Optimization
of optical waveguide antennas for directive emission of light,” arXiv:2106.02468.
2021.
mla: Farheen, Henna, et al. “Optimization of Optical Waveguide Antennas for Directive
Emission of Light.” ArXiv:2106.02468, 2021.
short: H. Farheen, T. Leuteritz, S. Linden, V. Myroshnychenko, J. Förstner, ArXiv:2106.02468
(2021).
date_created: 2022-06-28T08:01:09Z
date_updated: 2022-06-28T08:01:39Z
department:
- _id: '27'
external_id:
arxiv:
- '2106.02468'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2106.02468
status: public
title: Optimization of optical waveguide antennas for directive emission of light
type: preprint
user_id: '15278'
year: '2021'
...
---
_id: '32236'
abstract:
- lang: eng
text: "The interaction between quantum light and matter is being intensively studied\r\nfor
systems that are enclosed in high-$Q$ cavities which strongly enhance the\r\nlight-matter
coupling. However, for many applications, cavities with lower\r\n$Q$-factors are
preferred due to the increased spectral width of the cavity\r\nmode. Here, we
investigate the interaction between quantum light and matter\r\nrepresented by
a $\\Lambda$-type three-level system in lossy cavities, assuming\r\nthat cavity
losses are the dominant loss mechanism. We demonstrate that cavity\r\nlosses lead
to non-trivial steady states of the electronic occupations that can\r\nbe controlled
by the loss rate and the initial statistics of the quantum\r\nfields. The mechanism
of formation of such steady states can be understood on\r\nthe basis of the equations
of motion. Analytical expressions for steady states\r\nand their numerical simulations
are presented and discussed."
author:
- first_name: H.
full_name: Rose, H.
last_name: Rose
- first_name: O. V.
full_name: Tikhonova, O. V.
last_name: Tikhonova
- first_name: T.
full_name: Meier, T.
last_name: Meier
- first_name: 'P. '
full_name: 'Sharapova, P. '
last_name: Sharapova
citation:
ama: Rose H, Tikhonova OV, Meier T, Sharapova P. Steady states of $Λ$-type three-level
systems excited by quantum light in lossy cavities. arXiv:210900842. Published
online 2021.
apa: Rose, H., Tikhonova, O. V., Meier, T., & Sharapova, P. (2021). Steady states
of $Λ$-type three-level systems excited by quantum light in lossy cavities. In
arXiv:2109.00842.
bibtex: '@article{Rose_Tikhonova_Meier_Sharapova_2021, title={Steady states of $Λ$-type
three-level systems excited by quantum light in lossy cavities}, journal={arXiv:2109.00842},
author={Rose, H. and Tikhonova, O. V. and Meier, T. and Sharapova, P. }, year={2021}
}'
chicago: Rose, H., O. V. Tikhonova, T. Meier, and P. Sharapova. “Steady States
of $Λ$-Type Three-Level Systems Excited by Quantum Light in Lossy Cavities.”
ArXiv:2109.00842, 2021.
ieee: H. Rose, O. V. Tikhonova, T. Meier, and P. Sharapova, “Steady states of $Λ$-type
three-level systems excited by quantum light in lossy cavities,” arXiv:2109.00842.
2021.
mla: Rose, H., et al. “Steady States of $Λ$-Type Three-Level Systems Excited by
Quantum Light in Lossy Cavities.” ArXiv:2109.00842, 2021.
short: H. Rose, O.V. Tikhonova, T. Meier, P. Sharapova, ArXiv:2109.00842 (2021).
date_created: 2022-06-28T07:03:29Z
date_updated: 2023-02-10T16:00:12Z
department:
- _id: '27'
external_id:
arxiv:
- '2109.00842'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2109.00842
status: public
title: Steady states of $Λ$-type three-level systems excited by quantum light in
lossy cavities
type: preprint
user_id: '14931'
year: '2021'
...
---
_id: '46122'
article_number: '094518'
author:
- first_name: Olaf
full_name: Kaczmarek, Olaf
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Sayantan
full_name: Sharma, Sayantan
last_name: Sharma
citation:
ama: Kaczmarek O, Mazur L, Sharma S. Eigenvalue spectra of QCD and the fate of <mml:math
xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit. Physical Review D. 2021;104(9). doi:10.1103/physrevd.104.094518
apa: Kaczmarek, O., Mazur, L., & Sharma, S. (2021). Eigenvalue spectra of QCD
and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit. Physical Review D, 104(9), Article 094518. https://doi.org/10.1103/physrevd.104.094518
bibtex: '@article{Kaczmarek_Mazur_Sharma_2021, title={Eigenvalue spectra of QCD
and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit}, volume={104}, DOI={10.1103/physrevd.104.094518},
number={9094518}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Kaczmarek, Olaf and Mazur, Lukas and Sharma, Sayantan}, year={2021}
}'
chicago: Kaczmarek, Olaf, Lukas Mazur, and Sayantan Sharma. “Eigenvalue Spectra
of QCD and the Fate of <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"
Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo
Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo
Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the
Chiral Limit.” Physical Review D 104, no. 9 (2021). https://doi.org/10.1103/physrevd.104.094518.
ieee: 'O. Kaczmarek, L. Mazur, and S. Sharma, “Eigenvalue spectra of QCD and the
fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo
stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo
stretchy="false">)</mml:mo></mml:math> breaking towards the
chiral limit,” Physical Review D, vol. 104, no. 9, Art. no. 094518, 2021,
doi: 10.1103/physrevd.104.094518.'
mla: Kaczmarek, Olaf, et al. “Eigenvalue Spectra of QCD and the Fate of <mml:Math
Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo
Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo
Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the
Chiral Limit.” Physical Review D, vol. 104, no. 9, 094518, American Physical
Society (APS), 2021, doi:10.1103/physrevd.104.094518.
short: O. Kaczmarek, L. Mazur, S. Sharma, Physical Review D 104 (2021).
date_created: 2023-07-24T11:03:06Z
date_updated: 2023-07-26T09:23:02Z
department:
- _id: '27'
doi: 10.1103/physrevd.104.094518
extern: '1'
intvolume: ' 104'
issue: '9'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Eigenvalue spectra of QCD and the fate of UA(1)
breaking towards the chiral limit
type: journal_article
user_id: '90492'
volume: 104
year: '2021'
...
---
_id: '46124'
article_number: '014511'
author:
- first_name: Luis
full_name: Altenkort, Luis
last_name: Altenkort
- first_name: Alexander M.
full_name: Eller, Alexander M.
last_name: Eller
- first_name: O.
full_name: Kaczmarek, O.
last_name: Kaczmarek
- first_name: Lukas
full_name: Mazur, Lukas
id: '90492'
last_name: Mazur
orcid: ' 0000-0001-6304-7082'
- first_name: Guy D.
full_name: Moore, Guy D.
last_name: Moore
- first_name: H.-T.
full_name: Shu, H.-T.
last_name: Shu
citation:
ama: Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Heavy quark
momentum diffusion from the lattice using gradient flow. Physical Review D.
2021;103(1). doi:10.1103/physrevd.103.014511
apa: Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &
Shu, H.-T. (2021). Heavy quark momentum diffusion from the lattice using gradient
flow. Physical Review D, 103(1), Article 014511. https://doi.org/10.1103/physrevd.103.014511
bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Heavy quark
momentum diffusion from the lattice using gradient flow}, volume={103}, DOI={10.1103/physrevd.103.014511},
number={1014511}, journal={Physical Review D}, publisher={American Physical Society
(APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and
Mazur, Lukas and Moore, Guy D. and Shu, H.-T.}, year={2021} }'
chicago: Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D.
Moore, and H.-T. Shu. “Heavy Quark Momentum Diffusion from the Lattice Using Gradient
Flow.” Physical Review D 103, no. 1 (2021). https://doi.org/10.1103/physrevd.103.014511.
ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T.
Shu, “Heavy quark momentum diffusion from the lattice using gradient flow,” Physical
Review D, vol. 103, no. 1, Art. no. 014511, 2021, doi: 10.1103/physrevd.103.014511.'
mla: Altenkort, Luis, et al. “Heavy Quark Momentum Diffusion from the Lattice Using
Gradient Flow.” Physical Review D, vol. 103, no. 1, 014511, American Physical
Society (APS), 2021, doi:10.1103/physrevd.103.014511.
short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu,
Physical Review D 103 (2021).
date_created: 2023-07-24T11:05:25Z
date_updated: 2023-07-26T09:22:09Z
department:
- _id: '27'
doi: 10.1103/physrevd.103.014511
extern: '1'
intvolume: ' 103'
issue: '1'
language:
- iso: eng
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Heavy quark momentum diffusion from the lattice using gradient flow
type: journal_article
user_id: '90492'
volume: 103
year: '2021'
...