--- _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' ...