[{"year":"2024","title":"Noctua 2 Supercomputer","date_created":"2024-04-26T07:39:41Z","file":[{"file_size":3825480,"file_name":"Noctua2_Supercomputer.pdf","access_level":"open_access","file_id":"53664","date_updated":"2024-04-26T08:35:17Z","creator":"deffel","date_created":"2024-04-26T07:30:20Z","relation":"main_file","content_type":"application/pdf"}],"abstract":[{"lang":"eng","text":"Noctua 2 is a supercomputer operated at the Paderborn Center for Parallel Computing (PC2) at Paderborn University in Germany. Noctua 2 was inaugurated in 2022 and is an Atos BullSequana XH2000 system. It consists mainly of three node types: 1) CPU Compute nodes with AMD EPYC processors in different main memory configurations, 2) GPU nodes with NVIDIA A100 GPUs, and 3) FPGA nodes with Xilinx Alveo U280 and Intel Stratix 10 FPGA cards. While CPUs and GPUs are known off-the-shelf components in HPC systems, the operation of a large number of FPGA cards from different vendors and a dedicated FPGA-to-FPGA network are unique characteristics of Noctua 2. This paper describes in detail the overall setup of Noctua 2 and gives insights into the operation of the cluster from a hardware, software and facility perspective."}],"publication":"Journal of large-scale research facilities","language":[{"iso":"eng"}],"ddc":["004"],"keyword":["Noctua 2","Supercomputer","FPGA","PC2","Paderborn Center for Parallel Computing"],"citation":{"bibtex":"@article{Bauer_Kenter_Lass_Mazur_Meyer_Nitsche_Riebler_Schade_Schwarz_Winnwa_et al._2024, title={Noctua 2 Supercomputer}, volume={9}, DOI={<a href=\"https://doi.org/10.17815/jlsrf-8-187 \">10.17815/jlsrf-8-187 </a>}, journal={Journal of large-scale research facilities}, author={Bauer, Carsten and Kenter, Tobias and Lass, Michael and Mazur, Lukas and Meyer, Marius and Nitsche, Holger and Riebler, Heinrich and Schade, Robert and Schwarz, Michael and Winnwa, Nils and et al.}, year={2024} }","mla":"Bauer, Carsten, et al. “Noctua 2 Supercomputer.” <i>Journal of Large-Scale Research Facilities</i>, vol. 9, 2024, doi:<a href=\"https://doi.org/10.17815/jlsrf-8-187 \">10.17815/jlsrf-8-187 </a>.","short":"C. Bauer, T. Kenter, M. Lass, L. Mazur, M. Meyer, H. Nitsche, H. Riebler, R. Schade, M. Schwarz, N. Winnwa, A. Wiens, X. Wu, C. Plessl, J. Simon, Journal of Large-Scale Research Facilities 9 (2024).","apa":"Bauer, C., Kenter, T., Lass, M., Mazur, L., Meyer, M., Nitsche, H., Riebler, H., Schade, R., Schwarz, M., Winnwa, N., Wiens, A., Wu, X., Plessl, C., &#38; Simon, J. (2024). Noctua 2 Supercomputer. <i>Journal of Large-Scale Research Facilities</i>, <i>9</i>. <a href=\"https://doi.org/10.17815/jlsrf-8-187 \">https://doi.org/10.17815/jlsrf-8-187 </a>","ama":"Bauer C, Kenter T, Lass M, et al. Noctua 2 Supercomputer. <i>Journal of large-scale research facilities</i>. 2024;9. doi:<a href=\"https://doi.org/10.17815/jlsrf-8-187 \">10.17815/jlsrf-8-187 </a>","ieee":"C. Bauer <i>et al.</i>, “Noctua 2 Supercomputer,” <i>Journal of large-scale research facilities</i>, vol. 9, 2024, doi: <a href=\"https://doi.org/10.17815/jlsrf-8-187 \">10.17815/jlsrf-8-187 </a>.","chicago":"Bauer, Carsten, Tobias Kenter, Michael Lass, Lukas Mazur, Marius Meyer, Holger Nitsche, Heinrich Riebler, et al. “Noctua 2 Supercomputer.” <i>Journal of Large-Scale Research Facilities</i> 9 (2024). <a href=\"https://doi.org/10.17815/jlsrf-8-187 \">https://doi.org/10.17815/jlsrf-8-187 </a>."},"intvolume":"         9","publication_status":"published","has_accepted_license":"1","doi":"10.17815/jlsrf-8-187 ","author":[{"last_name":"Bauer","full_name":"Bauer, Carsten","id":"90082","first_name":"Carsten"},{"first_name":"Tobias","id":"3145","full_name":"Kenter, Tobias","last_name":"Kenter"},{"full_name":"Lass, Michael","id":"24135","last_name":"Lass","orcid":"0000-0002-5708-7632","first_name":"Michael"},{"first_name":"Lukas","last_name":"Mazur","orcid":" 0000-0001-6304-7082","id":"90492","full_name":"Mazur, Lukas"},{"first_name":"Marius","full_name":"Meyer, Marius","id":"40778","last_name":"Meyer"},{"last_name":"Nitsche","full_name":"Nitsche, Holger","id":"15272","first_name":"Holger"},{"full_name":"Riebler, Heinrich","id":"8961","last_name":"Riebler","first_name":"Heinrich"},{"full_name":"Schade, Robert","id":"75963","last_name":"Schade","orcid":"0000-0002-6268-5397","first_name":"Robert"},{"first_name":"Michael","id":"5312","full_name":"Schwarz, Michael","last_name":"Schwarz"},{"first_name":"Nils","last_name":"Winnwa","full_name":"Winnwa, Nils","id":"61189"},{"first_name":"Alex","full_name":"Wiens, Alex","id":"23522","orcid":"0000-0003-1764-9773","last_name":"Wiens"},{"last_name":"Wu","full_name":"Wu, Xin","id":"77439","first_name":"Xin"},{"first_name":"Christian","id":"16153","full_name":"Plessl, Christian","last_name":"Plessl","orcid":"0000-0001-5728-9982"},{"last_name":"Simon","full_name":"Simon, Jens","id":"15273","first_name":"Jens"}],"volume":9,"date_updated":"2024-04-26T08:44:30Z","oa":"1","status":"public","type":"journal_article","file_date_updated":"2024-04-26T08:35:17Z","article_type":"original","user_id":"8961","department":[{"_id":"27"},{"_id":"518"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"53663"},{"citation":{"apa":"Mazur, L., Bollweg, D., Clarke, D. A., Altenkort, L., Kaczmarek, O., Larsen, R., Shu, H.-T., Goswami, J., Scior, P., Sandmeyer, H., Neumann, M., Dick, H., Ali, S., Kim, J., Schmidt, C., Petreczky, P., &#38; Mukherjee, S. (2023). SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations. <i>Computer Physics Communications</i>. <a href=\"https://doi.org/10.48550/ARXIV.2306.01098\">https://doi.org/10.48550/ARXIV.2306.01098</a>","bibtex":"@article{Mazur_Bollweg_Clarke_Altenkort_Kaczmarek_Larsen_Shu_Goswami_Scior_Sandmeyer_et al._2023, title={SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations}, DOI={<a href=\"https://doi.org/10.48550/ARXIV.2306.01098\">10.48550/ARXIV.2306.01098</a>}, journal={Computer Physics Communications}, author={Mazur, Lukas and Bollweg, Dennis and Clarke, David A. and Altenkort, Luis and Kaczmarek, Olaf and Larsen, Rasmus and Shu, Hai-Tao and Goswami, Jishnu and Scior, Philipp and Sandmeyer, Hauke and et al.}, year={2023} }","mla":"Mazur, Lukas, et al. “SIMULATeQCD: A Simple Multi-GPU Lattice Code for QCD Calculations.” <i>Computer Physics Communications</i>, 2023, doi:<a href=\"https://doi.org/10.48550/ARXIV.2306.01098\">10.48550/ARXIV.2306.01098</a>.","short":"L. Mazur, D. Bollweg, D.A. Clarke, L. Altenkort, O. Kaczmarek, R. Larsen, H.-T. Shu, J. Goswami, P. Scior, H. Sandmeyer, M. Neumann, H. Dick, S. Ali, J. Kim, C. Schmidt, P. Petreczky, S. Mukherjee, Computer Physics Communications (2023).","chicago":"Mazur, Lukas, Dennis Bollweg, David A. Clarke, Luis Altenkort, Olaf Kaczmarek, Rasmus Larsen, Hai-Tao Shu, et al. “SIMULATeQCD: A Simple Multi-GPU Lattice Code for QCD Calculations.” <i>Computer Physics Communications</i>, 2023. <a href=\"https://doi.org/10.48550/ARXIV.2306.01098\">https://doi.org/10.48550/ARXIV.2306.01098</a>.","ieee":"L. Mazur <i>et al.</i>, “SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations,” <i>Computer Physics Communications</i>, 2023, doi: <a href=\"https://doi.org/10.48550/ARXIV.2306.01098\">10.48550/ARXIV.2306.01098</a>.","ama":"Mazur L, Bollweg D, Clarke DA, et al. SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations. <i>Computer Physics Communications</i>. Published online 2023. doi:<a href=\"https://doi.org/10.48550/ARXIV.2306.01098\">10.48550/ARXIV.2306.01098</a>"},"year":"2023","doi":"10.48550/ARXIV.2306.01098","title":"SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations","date_created":"2023-07-24T10:55:25Z","author":[{"id":"90492","full_name":"Mazur, Lukas","last_name":"Mazur","orcid":" 0000-0001-6304-7082","first_name":"Lukas"},{"last_name":"Bollweg","full_name":"Bollweg, Dennis","first_name":"Dennis"},{"first_name":"David A.","last_name":"Clarke","full_name":"Clarke, David A."},{"last_name":"Altenkort","full_name":"Altenkort, Luis","first_name":"Luis"},{"last_name":"Kaczmarek","full_name":"Kaczmarek, Olaf","first_name":"Olaf"},{"first_name":"Rasmus","full_name":"Larsen, Rasmus","last_name":"Larsen"},{"full_name":"Shu, Hai-Tao","last_name":"Shu","first_name":"Hai-Tao"},{"first_name":"Jishnu","full_name":"Goswami, Jishnu","last_name":"Goswami"},{"first_name":"Philipp","full_name":"Scior, Philipp","last_name":"Scior"},{"first_name":"Hauke","full_name":"Sandmeyer, Hauke","last_name":"Sandmeyer"},{"full_name":"Neumann, Marius","last_name":"Neumann","first_name":"Marius"},{"last_name":"Dick","full_name":"Dick, Henrik","first_name":"Henrik"},{"first_name":"Sajid","last_name":"Ali","full_name":"Ali, Sajid"},{"full_name":"Kim, Jangho","last_name":"Kim","first_name":"Jangho"},{"full_name":"Schmidt, Christian","last_name":"Schmidt","first_name":"Christian"},{"first_name":"Peter","last_name":"Petreczky","full_name":"Petreczky, Peter"},{"last_name":"Mukherjee","full_name":"Mukherjee, Swagato","first_name":"Swagato"}],"date_updated":"2023-07-26T09:21:35Z","status":"public","abstract":[{"text":"The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates to existing software. These challenges have to be balanced against constantly changing personnel. At the same time, there is a wide range of applications for HISQ fermions in QCD studies. This situation encourages the development of software featuring a HISQ action that is flexible, high-performing, open source, easy to use, and easy to adapt. In this technical paper, we explain the design strategy, provide implementation details, list available algorithms and modules, and show key performance indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD calculations, mainly developed and used by the HotQCD collaboration. The code is publicly available on GitHub.","lang":"eng"}],"type":"journal_article","publication":"Computer Physics Communications","language":[{"iso":"eng"}],"user_id":"90492","department":[{"_id":"27"}],"_id":"46120"},{"article_number":"014503","language":[{"iso":"eng"}],"_id":"46119","user_id":"90492","department":[{"_id":"27"}],"status":"public","type":"journal_article","publication":"Physical Review D","title":"Viscosity of pure-glue QCD from the lattice","doi":"10.1103/physrevd.108.014503","date_updated":"2023-07-26T09:23:32Z","publisher":"American Physical Society (APS)","date_created":"2023-07-24T10:54:18Z","author":[{"first_name":"Luis","full_name":"Altenkort, Luis","last_name":"Altenkort"},{"last_name":"Eller","full_name":"Eller, Alexander M.","first_name":"Alexander M."},{"first_name":"Anthony","last_name":"Francis","full_name":"Francis, Anthony"},{"last_name":"Kaczmarek","full_name":"Kaczmarek, Olaf","first_name":"Olaf"},{"first_name":"Lukas","id":"90492","full_name":"Mazur, Lukas","orcid":" 0000-0001-6304-7082","last_name":"Mazur"},{"last_name":"Moore","full_name":"Moore, Guy D.","first_name":"Guy D."},{"last_name":"Shu","full_name":"Shu, Hai-Tao","first_name":"Hai-Tao"}],"volume":108,"year":"2023","citation":{"apa":"Altenkort, L., Eller, A. M., Francis, A., Kaczmarek, O., Mazur, L., Moore, G. D., &#38; Shu, H.-T. (2023). Viscosity of pure-glue QCD from the lattice. <i>Physical Review D</i>, <i>108</i>(1), Article 014503. <a href=\"https://doi.org/10.1103/physrevd.108.014503\">https://doi.org/10.1103/physrevd.108.014503</a>","mla":"Altenkort, Luis, et al. “Viscosity of Pure-Glue QCD from the Lattice.” <i>Physical Review D</i>, vol. 108, no. 1, 014503, American Physical Society (APS), 2023, doi:<a href=\"https://doi.org/10.1103/physrevd.108.014503\">10.1103/physrevd.108.014503</a>.","bibtex":"@article{Altenkort_Eller_Francis_Kaczmarek_Mazur_Moore_Shu_2023, title={Viscosity of pure-glue QCD from the lattice}, volume={108}, DOI={<a href=\"https://doi.org/10.1103/physrevd.108.014503\">10.1103/physrevd.108.014503</a>}, number={1014503}, journal={Physical Review D}, publisher={American Physical Society (APS)}, author={Altenkort, Luis and Eller, Alexander M. and Francis, Anthony and Kaczmarek, Olaf and Mazur, Lukas and Moore, Guy D. and Shu, Hai-Tao}, year={2023} }","short":"L. Altenkort, A.M. Eller, A. Francis, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 108 (2023).","ieee":"L. Altenkort <i>et al.</i>, “Viscosity of pure-glue QCD from the lattice,” <i>Physical Review D</i>, vol. 108, no. 1, Art. no. 014503, 2023, doi: <a href=\"https://doi.org/10.1103/physrevd.108.014503\">10.1103/physrevd.108.014503</a>.","chicago":"Altenkort, Luis, Alexander M. Eller, Anthony Francis, Olaf Kaczmarek, Lukas Mazur, Guy D. Moore, and Hai-Tao Shu. “Viscosity of Pure-Glue QCD from the Lattice.” <i>Physical Review D</i> 108, no. 1 (2023). <a href=\"https://doi.org/10.1103/physrevd.108.014503\">https://doi.org/10.1103/physrevd.108.014503</a>.","ama":"Altenkort L, Eller AM, Francis A, et al. Viscosity of pure-glue QCD from the lattice. <i>Physical Review D</i>. 2023;108(1). doi:<a href=\"https://doi.org/10.1103/physrevd.108.014503\">10.1103/physrevd.108.014503</a>"},"intvolume":"       108","publication_status":"published","publication_identifier":{"issn":["2470-0010","2470-0029"]},"quality_controlled":"1","issue":"1"},{"status":"public","type":"journal_article","article_number":"094505","user_id":"90492","department":[{"_id":"27"}],"_id":"46121","citation":{"ama":"Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Lattice QCD noise reduction for bosonic correlators through blocking. <i>Physical Review D</i>. 2022;105(9). doi:<a href=\"https://doi.org/10.1103/physrevd.105.094505\">10.1103/physrevd.105.094505</a>","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,” <i>Physical Review D</i>, vol. 105, no. 9, Art. no. 094505, 2022, doi: <a href=\"https://doi.org/10.1103/physrevd.105.094505\">10.1103/physrevd.105.094505</a>.","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.” <i>Physical Review D</i> 105, no. 9 (2022). <a href=\"https://doi.org/10.1103/physrevd.105.094505\">https://doi.org/10.1103/physrevd.105.094505</a>.","apa":"Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &#38; Shu, H.-T. (2022). Lattice QCD noise reduction for bosonic correlators through blocking. <i>Physical Review D</i>, <i>105</i>(9), Article 094505. <a href=\"https://doi.org/10.1103/physrevd.105.094505\">https://doi.org/10.1103/physrevd.105.094505</a>","mla":"Altenkort, Luis, et al. “Lattice QCD Noise Reduction for Bosonic Correlators through Blocking.” <i>Physical Review D</i>, vol. 105, no. 9, 094505, American Physical Society (APS), 2022, doi:<a href=\"https://doi.org/10.1103/physrevd.105.094505\">10.1103/physrevd.105.094505</a>.","short":"L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 105 (2022).","bibtex":"@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2022, title={Lattice QCD noise reduction for bosonic correlators through blocking}, volume={105}, DOI={<a href=\"https://doi.org/10.1103/physrevd.105.094505\">10.1103/physrevd.105.094505</a>}, 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} }"},"intvolume":"       105","publication_status":"published","publication_identifier":{"issn":["2470-0010","2470-0029"]},"doi":"10.1103/physrevd.105.094505","author":[{"full_name":"Altenkort, Luis","last_name":"Altenkort","first_name":"Luis"},{"first_name":"Alexander M.","last_name":"Eller","full_name":"Eller, Alexander M."},{"full_name":"Kaczmarek, O.","last_name":"Kaczmarek","first_name":"O."},{"full_name":"Mazur, Lukas","id":"90492","orcid":" 0000-0001-6304-7082","last_name":"Mazur","first_name":"Lukas"},{"first_name":"Guy D.","last_name":"Moore","full_name":"Moore, Guy D."},{"full_name":"Shu, Hai-Tao","last_name":"Shu","first_name":"Hai-Tao"}],"volume":105,"date_updated":"2023-07-26T09:23:17Z","publication":"Physical Review D","language":[{"iso":"eng"}],"year":"2022","issue":"9","quality_controlled":"1","title":"Lattice QCD noise reduction for bosonic correlators through blocking","date_created":"2023-07-24T10:58:37Z","publisher":"American Physical Society (APS)"},{"publication_status":"published","citation":{"ieee":"R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, and T. Kühne, “Parallel quantum chemistry on noisy intermediate-scale quantum computers,” <i>Phys. Rev. Research</i>, vol. 4, p. 033160, 2022, doi: <a href=\"https://doi.org/10.1103/PhysRevResearch.4.033160\">10.1103/PhysRevResearch.4.033160</a>.","chicago":"Schade, Robert, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian Plessl, and Thomas Kühne. “Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers.” <i>Phys. Rev. Research</i> 4 (2022): 033160. <a href=\"https://doi.org/10.1103/PhysRevResearch.4.033160\">https://doi.org/10.1103/PhysRevResearch.4.033160</a>.","mla":"Schade, Robert, et al. “Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers.” <i>Phys. Rev. Research</i>, vol. 4, American Physical Society, 2022, p. 033160, doi:<a href=\"https://doi.org/10.1103/PhysRevResearch.4.033160\">10.1103/PhysRevResearch.4.033160</a>.","short":"R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev. Research 4 (2022) 033160.","bibtex":"@article{Schade_Bauer_Tamoev_Mazur_Plessl_Kühne_2022, title={Parallel quantum chemistry on noisy intermediate-scale quantum computers}, volume={4}, DOI={<a href=\"https://doi.org/10.1103/PhysRevResearch.4.033160\">10.1103/PhysRevResearch.4.033160</a>}, 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} }","apa":"Schade, R., Bauer, C., Tamoev, K., Mazur, L., Plessl, C., &#38; Kühne, T. (2022). Parallel quantum chemistry on noisy intermediate-scale quantum computers. <i>Phys. Rev. Research</i>, <i>4</i>, 033160. <a href=\"https://doi.org/10.1103/PhysRevResearch.4.033160\">https://doi.org/10.1103/PhysRevResearch.4.033160</a>","ama":"Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry on noisy intermediate-scale quantum computers. <i>Phys Rev Research</i>. 2022;4:033160. doi:<a href=\"https://doi.org/10.1103/PhysRevResearch.4.033160\">10.1103/PhysRevResearch.4.033160</a>"},"page":"033160","intvolume":"         4","date_updated":"2023-08-02T15:04:22Z","oa":"1","author":[{"first_name":"Robert","full_name":"Schade, Robert","id":"75963","orcid":"0000-0002-6268-539","last_name":"Schade"},{"first_name":"Carsten","last_name":"Bauer","id":"90082","full_name":"Bauer, Carsten"},{"full_name":"Tamoev, Konstantin","id":"50177","last_name":"Tamoev","first_name":"Konstantin"},{"first_name":"Lukas","id":"90492","full_name":"Mazur, Lukas","last_name":"Mazur","orcid":" 0000-0001-6304-7082"},{"orcid":"0000-0001-5728-9982","last_name":"Plessl","full_name":"Plessl, Christian","id":"16153","first_name":"Christian"},{"last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas"}],"volume":4,"main_file_link":[{"open_access":"1","url":"https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.4.033160"}],"doi":"10.1103/PhysRevResearch.4.033160","type":"journal_article","status":"public","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"33226","user_id":"75963","department":[{"_id":"27"},{"_id":"518"}],"article_type":"original","quality_controlled":"1","year":"2022","publisher":"American Physical Society","date_created":"2022-08-29T14:07:01Z","title":"Parallel quantum chemistry on noisy intermediate-scale quantum computers","publication":"Phys. Rev. Research","abstract":[{"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.","lang":"eng"}],"language":[{"iso":"eng"}]},{"status":"public","type":"journal_article","article_number":"094518","extern":"1","_id":"46122","department":[{"_id":"27"}],"user_id":"90492","intvolume":"       104","citation":{"bibtex":"@article{Kaczmarek_Mazur_Sharma_2021, title={Eigenvalue spectra of QCD and the fate of &#60;mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;U&#60;/mml:mi&#62;&#60;mml:mi&#62;A&#60;/mml:mi&#62;&#60;/mml:msub&#62;&#60;mml:mo stretchy=\"false\"&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo stretchy=\"false\"&#62;)&#60;/mml:mo&#62;&#60;/mml:math&#62; breaking towards the chiral limit}, volume={104}, DOI={<a href=\"https://doi.org/10.1103/physrevd.104.094518\">10.1103/physrevd.104.094518</a>}, number={9094518}, journal={Physical Review D}, publisher={American Physical Society (APS)}, author={Kaczmarek, Olaf and Mazur, Lukas and Sharma, Sayantan}, year={2021} }","short":"O. Kaczmarek, L. Mazur, S. Sharma, Physical Review D 104 (2021).","mla":"Kaczmarek, Olaf, et al. “Eigenvalue Spectra of QCD and the Fate of &#60;mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\" Display=\"inline\"&#62;&#60;mml:Msub&#62;&#60;mml:Mi&#62;U&#60;/Mml:Mi&#62;&#60;mml:Mi&#62;A&#60;/Mml:Mi&#62;&#60;/Mml:Msub&#62;&#60;mml:Mo Stretchy=\"false\"&#62;(&#60;/Mml:Mo&#62;&#60;mml:Mn&#62;1&#60;/Mml:Mn&#62;&#60;mml:Mo Stretchy=\"false\"&#62;)&#60;/Mml:Mo&#62;&#60;/Mml:Math&#62; Breaking towards the Chiral Limit.” <i>Physical Review D</i>, vol. 104, no. 9, 094518, American Physical Society (APS), 2021, doi:<a href=\"https://doi.org/10.1103/physrevd.104.094518\">10.1103/physrevd.104.094518</a>.","apa":"Kaczmarek, O., Mazur, L., &#38; Sharma, S. (2021). Eigenvalue spectra of QCD and the fate of &#60;mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;U&#60;/mml:mi&#62;&#60;mml:mi&#62;A&#60;/mml:mi&#62;&#60;/mml:msub&#62;&#60;mml:mo stretchy=\"false\"&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo stretchy=\"false\"&#62;)&#60;/mml:mo&#62;&#60;/mml:math&#62; breaking towards the chiral limit. <i>Physical Review D</i>, <i>104</i>(9), Article 094518. <a href=\"https://doi.org/10.1103/physrevd.104.094518\">https://doi.org/10.1103/physrevd.104.094518</a>","ama":"Kaczmarek O, Mazur L, Sharma S. Eigenvalue spectra of QCD and the fate of &#60;mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;U&#60;/mml:mi&#62;&#60;mml:mi&#62;A&#60;/mml:mi&#62;&#60;/mml:msub&#62;&#60;mml:mo stretchy=\"false\"&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo stretchy=\"false\"&#62;)&#60;/mml:mo&#62;&#60;/mml:math&#62; breaking towards the chiral limit. <i>Physical Review D</i>. 2021;104(9). doi:<a href=\"https://doi.org/10.1103/physrevd.104.094518\">10.1103/physrevd.104.094518</a>","ieee":"O. Kaczmarek, L. Mazur, and S. Sharma, “Eigenvalue spectra of QCD and the fate of &#60;mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;U&#60;/mml:mi&#62;&#60;mml:mi&#62;A&#60;/mml:mi&#62;&#60;/mml:msub&#62;&#60;mml:mo stretchy=\"false\"&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo stretchy=\"false\"&#62;)&#60;/mml:mo&#62;&#60;/mml:math&#62; breaking towards the chiral limit,” <i>Physical Review D</i>, vol. 104, no. 9, Art. no. 094518, 2021, doi: <a href=\"https://doi.org/10.1103/physrevd.104.094518\">10.1103/physrevd.104.094518</a>.","chicago":"Kaczmarek, Olaf, Lukas Mazur, and Sayantan Sharma. “Eigenvalue Spectra of QCD and the Fate of &#60;mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\" Display=\"inline\"&#62;&#60;mml:Msub&#62;&#60;mml:Mi&#62;U&#60;/Mml:Mi&#62;&#60;mml:Mi&#62;A&#60;/Mml:Mi&#62;&#60;/Mml:Msub&#62;&#60;mml:Mo Stretchy=\"false\"&#62;(&#60;/Mml:Mo&#62;&#60;mml:Mn&#62;1&#60;/Mml:Mn&#62;&#60;mml:Mo Stretchy=\"false\"&#62;)&#60;/Mml:Mo&#62;&#60;/Mml:Math&#62; Breaking towards the Chiral Limit.” <i>Physical Review D</i> 104, no. 9 (2021). <a href=\"https://doi.org/10.1103/physrevd.104.094518\">https://doi.org/10.1103/physrevd.104.094518</a>."},"publication_identifier":{"issn":["2470-0010","2470-0029"]},"publication_status":"published","doi":"10.1103/physrevd.104.094518","date_updated":"2023-07-26T09:23:02Z","volume":104,"author":[{"full_name":"Kaczmarek, Olaf","last_name":"Kaczmarek","first_name":"Olaf"},{"id":"90492","full_name":"Mazur, Lukas","last_name":"Mazur","orcid":" 0000-0001-6304-7082","first_name":"Lukas"},{"first_name":"Sayantan","last_name":"Sharma","full_name":"Sharma, Sayantan"}],"publication":"Physical Review D","language":[{"iso":"eng"}],"year":"2021","quality_controlled":"1","issue":"9","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","publisher":"American Physical Society (APS)","date_created":"2023-07-24T11:03:06Z"},{"extern":"1","article_number":"014511","department":[{"_id":"27"}],"user_id":"90492","_id":"46124","status":"public","type":"journal_article","doi":"10.1103/physrevd.103.014511","volume":103,"author":[{"last_name":"Altenkort","full_name":"Altenkort, Luis","first_name":"Luis"},{"first_name":"Alexander M.","last_name":"Eller","full_name":"Eller, Alexander M."},{"full_name":"Kaczmarek, O.","last_name":"Kaczmarek","first_name":"O."},{"first_name":"Lukas","last_name":"Mazur","orcid":" 0000-0001-6304-7082","id":"90492","full_name":"Mazur, Lukas"},{"last_name":"Moore","full_name":"Moore, Guy D.","first_name":"Guy D."},{"first_name":"H.-T.","last_name":"Shu","full_name":"Shu, H.-T."}],"date_updated":"2023-07-26T09:22:09Z","intvolume":"       103","citation":{"bibtex":"@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Heavy quark momentum diffusion from the lattice using gradient flow}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physrevd.103.014511\">10.1103/physrevd.103.014511</a>}, 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} }","mla":"Altenkort, Luis, et al. “Heavy Quark Momentum Diffusion from the Lattice Using Gradient Flow.” <i>Physical Review D</i>, vol. 103, no. 1, 014511, American Physical Society (APS), 2021, doi:<a href=\"https://doi.org/10.1103/physrevd.103.014511\">10.1103/physrevd.103.014511</a>.","short":"L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 103 (2021).","apa":"Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., &#38; Shu, H.-T. (2021). Heavy quark momentum diffusion from the lattice using gradient flow. <i>Physical Review D</i>, <i>103</i>(1), Article 014511. <a href=\"https://doi.org/10.1103/physrevd.103.014511\">https://doi.org/10.1103/physrevd.103.014511</a>","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,” <i>Physical Review D</i>, vol. 103, no. 1, Art. no. 014511, 2021, doi: <a href=\"https://doi.org/10.1103/physrevd.103.014511\">10.1103/physrevd.103.014511</a>.","chicago":"Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D. Moore, and H.-T. 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M., Kaczmarek, O., Mazur, L., Moore, G. D., &#38; Shu, H.-T. (2021). Sphaleron rate from Euclidean lattice correlators: An exploration. <i>Physical Review D</i>, <i>103</i>(11), Article 114513. <a href=\"https://doi.org/10.1103/physrevd.103.114513\">https://doi.org/10.1103/physrevd.103.114513</a>","bibtex":"@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Sphaleron rate from Euclidean lattice correlators: An exploration}, volume={103}, DOI={<a href=\"https://doi.org/10.1103/physrevd.103.114513\">10.1103/physrevd.103.114513</a>}, number={11114513}, journal={Physical Review D}, publisher={American Physical Society (APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and Mazur, Lukas and Moore, Guy D. and Shu, H.-T.}, year={2021} }","short":"L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 103 (2021).","mla":"Altenkort, Luis, et al. “Sphaleron Rate from Euclidean Lattice Correlators: An Exploration.” <i>Physical Review D</i>, vol. 103, no. 11, 114513, American Physical Society (APS), 2021, doi:<a href=\"https://doi.org/10.1103/physrevd.103.114513\">10.1103/physrevd.103.114513</a>.","chicago":"Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D. Moore, and H.-T. Shu. “Sphaleron Rate from Euclidean Lattice Correlators: An Exploration.” <i>Physical Review D</i> 103, no. 11 (2021). <a href=\"https://doi.org/10.1103/physrevd.103.114513\">https://doi.org/10.1103/physrevd.103.114513</a>.","ieee":"L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T. 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