[{"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"abstract":[{"lang":"eng","text":"Viscous hydrodynamics serves as a successful mesoscopic description of the\r\nQuark-Gluon Plasma produced in relativistic heavy-ion collisions. In order to\r\ninvestigate, how such an effective description emerges from the underlying\r\nmicroscopic dynamics we calculate the hydrodynamic and non-hydrodynamic modes\r\nof linear response in the sound channel from a first-principle calculation in\r\nkinetic theory. We do this with a new approach wherein we discretize the\r\ncollision kernel to directly calculate eigenvalues and eigenmodes of the\r\nevolution operator. This allows us to study the Green's functions at any point\r\nin the complex frequency space. Our study focuses on scalar theory with quartic\r\ninteraction and we find that the analytic structure of Green's functions in the\r\ncomplex plane is far more complicated than just poles or cuts which is a first\r\nstep towards an equivalent study in QCD kinetic theory."}],"citation":{"ama":"Ochsenfeld S, Schlichting S. Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory. <i>arXiv:230804491</i>. Published online 2023.","bibtex":"@article{Ochsenfeld_Schlichting_2023, title={Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory}, journal={arXiv:2308.04491}, author={Ochsenfeld, Stephan and Schlichting, Sören}, year={2023} }","mla":"Ochsenfeld, Stephan, and Sören Schlichting. “Hydrodynamic and Non-Hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory.” <i>ArXiv:2308.04491</i>, 2023.","short":"S. Ochsenfeld, S. Schlichting, ArXiv:2308.04491 (2023).","chicago":"Ochsenfeld, Stephan, and Sören Schlichting. “Hydrodynamic and Non-Hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory.” <i>ArXiv:2308.04491</i>, 2023.","apa":"Ochsenfeld, S., &#38; Schlichting, S. (2023). Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory. In <i>arXiv:2308.04491</i>.","ieee":"S. Ochsenfeld and S. Schlichting, “Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory,” <i>arXiv:2308.04491</i>. 2023."},"publication":"arXiv:2308.04491","department":[{"_id":"27"}],"type":"preprint","date_created":"2024-01-04T08:47:38Z","external_id":{"arxiv":["2308.04491"]},"date_updated":"2024-01-04T08:47:47Z","author":[{"full_name":"Ochsenfeld, Stephan","last_name":"Ochsenfeld","first_name":"Stephan"},{"first_name":"Sören","last_name":"Schlichting","full_name":"Schlichting, Sören"}],"status":"public","title":"Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory","year":"2023","user_id":"67287","_id":"50172","language":[{"iso":"eng"}]},{"external_id":{"arxiv":["2309.17207"]},"date_created":"2024-01-05T12:38:42Z","type":"preprint","department":[{"_id":"27"}],"publication":"arXiv:2309.17207","citation":{"ama":"Pleines M, Pallasch M, Zimmer F, Preuss M. Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents. <i>arXiv:230917207</i>. Published online 2023.","bibtex":"@article{Pleines_Pallasch_Zimmer_Preuss_2023, title={Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents}, journal={arXiv:2309.17207}, author={Pleines, Marco and Pallasch, Matthias and Zimmer, Frank and Preuss, Mike}, year={2023} }","mla":"Pleines, Marco, et al. “Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents.” <i>ArXiv:2309.17207</i>, 2023.","short":"M. Pleines, M. Pallasch, F. Zimmer, M. Preuss, ArXiv:2309.17207 (2023).","chicago":"Pleines, Marco, Matthias Pallasch, Frank Zimmer, and Mike Preuss. “Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents.” <i>ArXiv:2309.17207</i>, 2023.","apa":"Pleines, M., Pallasch, M., Zimmer, F., &#38; Preuss, M. (2023). Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents. In <i>arXiv:2309.17207</i>.","ieee":"M. Pleines, M. Pallasch, F. Zimmer, and M. Preuss, “Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents,” <i>arXiv:2309.17207</i>. 2023."},"abstract":[{"text":"Memory Gym presents a suite of 2D partially observable environments, namely\r\nMortar Mayhem, Mystery Path, and Searing Spotlights, designed to benchmark\r\nmemory capabilities in decision-making agents. These environments, originally\r\nwith finite tasks, are expanded into innovative, endless formats, mirroring the\r\nescalating challenges of cumulative memory games such as ``I packed my bag''.\r\nThis progression in task design shifts the focus from merely assessing sample\r\nefficiency to also probing the levels of memory effectiveness in dynamic,\r\nprolonged scenarios. To address the gap in available memory-based Deep\r\nReinforcement Learning baselines, we introduce an implementation that\r\nintegrates Transformer-XL (TrXL) with Proximal Policy Optimization. This\r\napproach utilizes TrXL as a form of episodic memory, employing a sliding window\r\ntechnique. Our comparative study between the Gated Recurrent Unit (GRU) and\r\nTrXL reveals varied performances across different settings. TrXL, on the finite\r\nenvironments, demonstrates superior sample efficiency in Mystery Path and\r\noutperforms in Mortar Mayhem. However, GRU is more efficient on Searing\r\nSpotlights. Most notably, in all endless tasks, GRU makes a remarkable\r\nresurgence, consistently outperforming TrXL by significant margins. Website and\r\nSource Code: https://github.com/MarcoMeter/endless-memory-gym/","lang":"eng"}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}],"_id":"50221","user_id":"67287","year":"2023","title":"Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents","status":"public","author":[{"full_name":"Pleines, Marco","last_name":"Pleines","first_name":"Marco"},{"full_name":"Pallasch, Matthias","first_name":"Matthias","last_name":"Pallasch"},{"last_name":"Zimmer","first_name":"Frank","full_name":"Zimmer, Frank"},{"first_name":"Mike","last_name":"Preuss","full_name":"Preuss, Mike"}],"date_updated":"2024-01-05T12:39:50Z"},{"user_id":"3145","_id":"43439","language":[{"iso":"eng"}],"date_updated":"2024-01-22T09:56:42Z","author":[{"full_name":"Van Hirtum, Lennart","last_name":"Van Hirtum","first_name":"Lennart"},{"full_name":"De Causmaecker, Patrick","first_name":"Patrick","last_name":"De Causmaecker"},{"full_name":"Goemaere, Jens","first_name":"Jens","last_name":"Goemaere"},{"id":"3145","first_name":"Tobias","last_name":"Kenter","full_name":"Kenter, Tobias"},{"id":"8961","last_name":"Riebler","first_name":"Heinrich","full_name":"Riebler, Heinrich"},{"orcid":"0000-0002-5708-7632","last_name":"Lass","first_name":"Michael","full_name":"Lass, Michael","id":"24135"},{"first_name":"Christian","last_name":"Plessl","orcid":"0000-0001-5728-9982","full_name":"Plessl, Christian","id":"16153"}],"title":"A computation of D(9) using FPGA Supercomputing","year":"2023","status":"public","department":[{"_id":"27"},{"_id":"518"}],"type":"preprint","date_created":"2023-04-08T11:05:29Z","external_id":{"arxiv":["2304.03039"]},"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"abstract":[{"lang":"eng","text":"This preprint makes the claim of having computed the $9^{th}$ Dedekind\r\nNumber. This was done by building an efficient FPGA Accelerator for the core\r\noperation of the process, and parallelizing it on the Noctua 2 Supercluster at\r\nPaderborn University. The resulting value is\r\n286386577668298411128469151667598498812366. This value can be verified in two\r\nsteps. We have made the data file containing the 490M results available, each\r\nof which can be verified separately on CPU, and the whole file sums to our\r\nproposed value."}],"citation":{"apa":"Van Hirtum, L., De Causmaecker, P., Goemaere, J., Kenter, T., Riebler, H., Lass, M., &#38; Plessl, C. (2023). A computation of D(9) using FPGA Supercomputing. In <i>arXiv:2304.03039</i>.","ieee":"L. Van Hirtum <i>et al.</i>, “A computation of D(9) using FPGA Supercomputing,” <i>arXiv:2304.03039</i>. 2023.","short":"L. Van Hirtum, P. De Causmaecker, J. Goemaere, T. Kenter, H. Riebler, M. Lass, C. Plessl, ArXiv:2304.03039 (2023).","chicago":"Van Hirtum, Lennart, Patrick De Causmaecker, Jens Goemaere, Tobias Kenter, Heinrich Riebler, Michael Lass, and Christian Plessl. “A Computation of D(9) Using FPGA Supercomputing.” <i>ArXiv:2304.03039</i>, 2023.","mla":"Van Hirtum, Lennart, et al. “A Computation of D(9) Using FPGA Supercomputing.” <i>ArXiv:2304.03039</i>, 2023.","ama":"Van Hirtum L, De Causmaecker P, Goemaere J, et al. A computation of D(9) using FPGA Supercomputing. <i>arXiv:230403039</i>. Published online 2023.","bibtex":"@article{Van Hirtum_De Causmaecker_Goemaere_Kenter_Riebler_Lass_Plessl_2023, title={A computation of D(9) using FPGA Supercomputing}, journal={arXiv:2304.03039}, author={Van Hirtum, Lennart and De Causmaecker, Patrick and Goemaere, Jens and Kenter, Tobias and Riebler, Heinrich and Lass, Michael and Plessl, Christian}, year={2023} }"},"publication":"arXiv:2304.03039"},{"publication_status":"published","date_updated":"2024-04-17T08:09:39Z","author":[{"id":"78722","first_name":"Jennifer","last_name":"Faj","full_name":"Faj, Jennifer"},{"id":"3145","last_name":"Kenter","first_name":"Tobias","full_name":"Kenter, Tobias"},{"full_name":"Faghih-Naini, Sara","last_name":"Faghih-Naini","first_name":"Sara"},{"id":"16153","first_name":"Christian","last_name":"Plessl","orcid":"0000-0001-5728-9982","full_name":"Plessl, Christian"},{"full_name":"Aizinger, Vadym","last_name":"Aizinger","first_name":"Vadym"}],"year":"2023","title":"Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes","status":"public","user_id":"3145","doi":"10.1145/3592979.3593407","publisher":"ACM","_id":"46188","language":[{"iso":"eng"}],"main_file_link":[{"url":"https://dl.acm.org/doi/pdf/10.1145/3592979.3593407"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"related_material":{"link":[{"url":"https://www.sighpc.org/for-our-community/acm-open-tocs/pasc23-open-toc","relation":"other","description":"Open Access available via this link."}]},"quality_controlled":"1","citation":{"mla":"Faj, Jennifer, et al. “Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes.” <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>, ACM, 2023, doi:<a href=\"https://doi.org/10.1145/3592979.3593407\">10.1145/3592979.3593407</a>.","ama":"Faj J, Kenter T, Faghih-Naini S, Plessl C, Aizinger V. Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes. In: <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>. ACM; 2023. doi:<a href=\"https://doi.org/10.1145/3592979.3593407\">10.1145/3592979.3593407</a>","bibtex":"@inproceedings{Faj_Kenter_Faghih-Naini_Plessl_Aizinger_2023, title={Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes}, DOI={<a href=\"https://doi.org/10.1145/3592979.3593407\">10.1145/3592979.3593407</a>}, booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)}, publisher={ACM}, author={Faj, Jennifer and Kenter, Tobias and Faghih-Naini, Sara and Plessl, Christian and Aizinger, Vadym}, year={2023} }","apa":"Faj, J., Kenter, T., Faghih-Naini, S., Plessl, C., &#38; Aizinger, V. (2023). Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes. <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>. <a href=\"https://doi.org/10.1145/3592979.3593407\">https://doi.org/10.1145/3592979.3593407</a>","ieee":"J. Faj, T. Kenter, S. Faghih-Naini, C. Plessl, and V. Aizinger, “Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes,” 2023, doi: <a href=\"https://doi.org/10.1145/3592979.3593407\">10.1145/3592979.3593407</a>.","chicago":"Faj, Jennifer, Tobias Kenter, Sara Faghih-Naini, Christian Plessl, and Vadym Aizinger. “Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes.” In <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>. ACM, 2023. <a href=\"https://doi.org/10.1145/3592979.3593407\">https://doi.org/10.1145/3592979.3593407</a>.","short":"J. Faj, T. Kenter, S. Faghih-Naini, C. Plessl, V. Aizinger, in: Proceedings of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2023."},"publication":"Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)","department":[{"_id":"27"},{"_id":"518"}],"type":"conference","date_created":"2023-07-28T09:42:14Z"},{"type":"conference","department":[{"_id":"27"},{"_id":"518"}],"date_created":"2023-07-28T09:46:25Z","quality_controlled":"1","related_material":{"link":[{"url":" https://www.sighpc.org/for-our-community/acm-open-tocs/pasc23-open-toc ","relation":"other","description":"Open Access available via this link."}]},"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)","citation":{"ieee":"C. Prouveur, M. Haefele, T. Kenter, and N. Voss, “FPGA Acceleration for HPC Supercapacitor Simulations,” 2023, doi: <a href=\"https://doi.org/10.1145/3592979.3593419\">10.1145/3592979.3593419</a>.","apa":"Prouveur, C., Haefele, M., Kenter, T., &#38; Voss, N. (2023). FPGA Acceleration for HPC Supercapacitor Simulations. <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>. <a href=\"https://doi.org/10.1145/3592979.3593419\">https://doi.org/10.1145/3592979.3593419</a>","chicago":"Prouveur, Charles, Matthieu Haefele, Tobias Kenter, and Nils Voss. “FPGA Acceleration for HPC Supercapacitor Simulations.” In <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>. ACM, 2023. <a href=\"https://doi.org/10.1145/3592979.3593419\">https://doi.org/10.1145/3592979.3593419</a>.","short":"C. Prouveur, M. Haefele, T. Kenter, N. Voss, in: Proceedings of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2023.","mla":"Prouveur, Charles, et al. “FPGA Acceleration for HPC Supercapacitor Simulations.” <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>, ACM, 2023, doi:<a href=\"https://doi.org/10.1145/3592979.3593419\">10.1145/3592979.3593419</a>.","bibtex":"@inproceedings{Prouveur_Haefele_Kenter_Voss_2023, title={FPGA Acceleration for HPC Supercapacitor Simulations}, DOI={<a href=\"https://doi.org/10.1145/3592979.3593419\">10.1145/3592979.3593419</a>}, booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)}, publisher={ACM}, author={Prouveur, Charles and Haefele, Matthieu and Kenter, Tobias and Voss, Nils}, year={2023} }","ama":"Prouveur C, Haefele M, Kenter T, Voss N. FPGA Acceleration for HPC Supercapacitor Simulations. In: <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>. ACM; 2023. doi:<a href=\"https://doi.org/10.1145/3592979.3593419\">10.1145/3592979.3593419</a>"},"doi":"10.1145/3592979.3593419","user_id":"3145","main_file_link":[{"url":"https://dl.acm.org/doi/pdf/10.1145/3592979.3593419"}],"_id":"46189","language":[{"iso":"eng"}],"publisher":"ACM","date_updated":"2024-04-17T08:10:51Z","publication_status":"published","year":"2023","status":"public","title":"FPGA Acceleration for HPC Supercapacitor Simulations","author":[{"first_name":"Charles","last_name":"Prouveur","full_name":"Prouveur, Charles"},{"first_name":"Matthieu","last_name":"Haefele","full_name":"Haefele, Matthieu"},{"full_name":"Kenter, Tobias","last_name":"Kenter","first_name":"Tobias","id":"3145"},{"full_name":"Voss, Nils","last_name":"Voss","first_name":"Nils"}]},{"file_date_updated":"2023-07-07T11:17:33Z","citation":{"mla":"Hansmeier, Tim, et al. “Compute Centers I: Heterogeneous Execution Environments.” <i>On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets</i>, edited by Claus-Jochen Haake et al., vol. 412, Heinz Nixdorf Institut, Universität Paderborn, 2023, pp. 165–82, doi:<a href=\"https://doi.org/10.5281/zenodo.8068642\">10.5281/zenodo.8068642</a>.","ama":"Hansmeier T, Kenter T, Meyer M, Riebler H, Platzner M, Plessl C. Compute Centers I: Heterogeneous Execution Environments. In: Haake C-J, Meyer auf der Heide F, Platzner M, Wachsmuth H, Wehrheim H, eds. <i>On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets</i>. Vol 412. Verlagsschriftenreihe des Heinz Nixdorf Instituts. Heinz Nixdorf Institut, Universität Paderborn; 2023:165-182. doi:<a href=\"https://doi.org/10.5281/zenodo.8068642\">10.5281/zenodo.8068642</a>","bibtex":"@inbook{Hansmeier_Kenter_Meyer_Riebler_Platzner_Plessl_2023, place={Paderborn}, series={Verlagsschriftenreihe des Heinz Nixdorf Instituts}, title={Compute Centers I: Heterogeneous Execution Environments}, volume={412}, DOI={<a href=\"https://doi.org/10.5281/zenodo.8068642\">10.5281/zenodo.8068642</a>}, booktitle={On-The-Fly Computing -- Individualized IT-services in dynamic markets}, publisher={Heinz Nixdorf Institut, Universität Paderborn}, author={Hansmeier, Tim and Kenter, Tobias and Meyer, Marius and Riebler, Heinrich and Platzner, Marco and Plessl, Christian}, editor={Haake, Claus-Jochen and Meyer auf der Heide, Friedhelm and Platzner, Marco and Wachsmuth, Henning and Wehrheim, Heike}, year={2023}, pages={165–182}, collection={Verlagsschriftenreihe des Heinz Nixdorf Instituts} }","apa":"Hansmeier, T., Kenter, T., Meyer, M., Riebler, H., Platzner, M., &#38; Plessl, C. (2023). Compute Centers I: Heterogeneous Execution Environments. In C.-J. Haake, F. Meyer auf der Heide, M. Platzner, H. Wachsmuth, &#38; H. Wehrheim (Eds.), <i>On-The-Fly Computing -- Individualized IT-services in dynamic markets</i> (Vol. 412, pp. 165–182). Heinz Nixdorf Institut, Universität Paderborn. <a href=\"https://doi.org/10.5281/zenodo.8068642\">https://doi.org/10.5281/zenodo.8068642</a>","ieee":"T. Hansmeier, T. Kenter, M. Meyer, H. Riebler, M. Platzner, and C. Plessl, “Compute Centers I: Heterogeneous Execution Environments,” in <i>On-The-Fly Computing -- Individualized IT-services in dynamic markets</i>, vol. 412, C.-J. Haake, F. Meyer auf der Heide, M. Platzner, H. Wachsmuth, and H. Wehrheim, Eds. Paderborn: Heinz Nixdorf Institut, Universität Paderborn, 2023, pp. 165–182.","chicago":"Hansmeier, Tim, Tobias Kenter, Marius Meyer, Heinrich Riebler, Marco Platzner, and Christian Plessl. “Compute Centers I: Heterogeneous Execution Environments.” In <i>On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets</i>, edited by Claus-Jochen Haake, Friedhelm Meyer auf der Heide, Marco Platzner, Henning Wachsmuth, and Heike Wehrheim, 412:165–82. Verlagsschriftenreihe Des Heinz Nixdorf Instituts. Paderborn: Heinz Nixdorf Institut, Universität Paderborn, 2023. <a href=\"https://doi.org/10.5281/zenodo.8068642\">https://doi.org/10.5281/zenodo.8068642</a>.","short":"T. Hansmeier, T. Kenter, M. Meyer, H. Riebler, M. Platzner, C. Plessl, in: C.-J. Haake, F. Meyer auf der Heide, M. Platzner, H. Wachsmuth, H. Wehrheim (Eds.), On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets, Heinz Nixdorf Institut, Universität Paderborn, Paderborn, 2023, pp. 165–182."},"project":[{"_id":"1","grant_number":"160364472","name":"SFB 901: SFB 901: On-The-Fly Computing - Individualisierte IT-Dienstleistungen in dynamischen Märkten "},{"name":"SFB 901 - C: SFB 901 - Project Area C","_id":"4"},{"name":"SFB 901 - C2: SFB 901 - On-The-Fly Compute Centers I: Heterogene Ausführungsumgebungen (Subproject C2)","_id":"14","grant_number":"160364472"}],"place":"Paderborn","oa":"1","status":"public","has_accepted_license":"1","page":"165-182","_id":"45893","publisher":"Heinz Nixdorf Institut, Universität Paderborn","ddc":["004"],"user_id":"398","editor":[{"full_name":"Haake, Claus-Jochen","last_name":"Haake","first_name":"Claus-Jochen"},{"last_name":"Meyer auf der Heide","first_name":"Friedhelm","full_name":"Meyer auf der Heide, Friedhelm"},{"first_name":"Marco","last_name":"Platzner","full_name":"Platzner, Marco"},{"last_name":"Wachsmuth","first_name":"Henning","full_name":"Wachsmuth, Henning"},{"last_name":"Wehrheim","first_name":"Heike","full_name":"Wehrheim, Heike"}],"volume":412,"publication":"On-The-Fly Computing -- Individualized IT-services in dynamic markets","file":[{"file_name":"C2-Chapter-SFB-Buch-Final.pdf","access_level":"open_access","file_size":2288788,"relation":"main_file","date_updated":"2023-07-07T11:17:33Z","file_id":"45894","content_type":"application/pdf","creator":"florida","date_created":"2023-07-07T08:15:35Z"}],"date_created":"2023-07-07T08:15:45Z","type":"book_chapter","department":[{"_id":"7"},{"_id":"27"},{"_id":"518"},{"_id":"78"}],"title":"Compute Centers I: Heterogeneous Execution Environments","year":"2023","author":[{"id":"49992","orcid":"0000-0003-1377-3339","last_name":"Hansmeier","first_name":"Tim","full_name":"Hansmeier, Tim"},{"id":"3145","full_name":"Kenter, Tobias","first_name":"Tobias","last_name":"Kenter"},{"full_name":"Meyer, Marius","first_name":"Marius","last_name":"Meyer","id":"40778"},{"full_name":"Riebler, Heinrich","last_name":"Riebler","first_name":"Heinrich","id":"8961"},{"id":"398","full_name":"Platzner, Marco","first_name":"Marco","last_name":"Platzner"},{"id":"16153","full_name":"Plessl, Christian","orcid":"0000-0001-5728-9982","last_name":"Plessl","first_name":"Christian"}],"date_updated":"2024-05-02T10:33:00Z","intvolume":"       412","language":[{"iso":"eng"}],"series_title":"Verlagsschriftenreihe des Heinz Nixdorf Instituts","doi":"10.5281/zenodo.8068642"},{"project":[{"grant_number":"231447078","_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"166","name":"TRR 142 - A11: TRR 142 - Subproject A11"},{"name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","grant_number":"231447078","_id":"168"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"mla":"Bocchini, Adriana, et al. “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles.” <i>Crystals</i>, vol. 14, no. 1, 5, MDPI AG, 2023, doi:<a href=\"https://doi.org/10.3390/cryst14010005\">10.3390/cryst14010005</a>.","bibtex":"@article{Bocchini_Xie_Schmidt_Gerstmann_2023, title={Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles}, volume={14}, DOI={<a href=\"https://doi.org/10.3390/cryst14010005\">10.3390/cryst14010005</a>}, number={15}, journal={Crystals}, publisher={MDPI AG}, author={Bocchini, Adriana and Xie, Yingjie and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2023} }","ama":"Bocchini A, Xie Y, Schmidt WG, Gerstmann U. Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. <i>Crystals</i>. 2023;14(1). doi:<a href=\"https://doi.org/10.3390/cryst14010005\">10.3390/cryst14010005</a>","ieee":"A. Bocchini, Y. Xie, W. G. Schmidt, and U. Gerstmann, “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles,” <i>Crystals</i>, vol. 14, no. 1, Art. no. 5, 2023, doi: <a href=\"https://doi.org/10.3390/cryst14010005\">10.3390/cryst14010005</a>.","apa":"Bocchini, A., Xie, Y., Schmidt, W. G., &#38; Gerstmann, U. (2023). Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. <i>Crystals</i>, <i>14</i>(1), Article 5. <a href=\"https://doi.org/10.3390/cryst14010005\">https://doi.org/10.3390/cryst14010005</a>","chicago":"Bocchini, Adriana, Yingjie Xie, Wolf Gero Schmidt, and Uwe Gerstmann. “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles.” <i>Crystals</i> 14, no. 1 (2023). <a href=\"https://doi.org/10.3390/cryst14010005\">https://doi.org/10.3390/cryst14010005</a>.","short":"A. Bocchini, Y. Xie, W.G. Schmidt, U. Gerstmann, Crystals 14 (2023)."},"user_id":"16199","volume":14,"publisher":"MDPI AG","_id":"54854","status":"public","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"date_created":"2024-06-24T06:21:04Z","abstract":[{"lang":"eng","text":"<jats:p>Batteries based on heavier alkali ions are considered promising candidates to substitute for current Li-based technologies. In this theoretical study, we characterize the structural properties of a novel material, i.e., F-doped RbTiOPO4 (RbTiPO4F, RTP:F), and discuss aspects of its electrochemical performance in Rb-ion batteries (RIBs) using density functional theory (DFT). According to our calculations, RTP:F is expected to retain the so-called KTiOPO4 (KTP)-type structure, with lattice parameters of 13.236 Å, 6.616 Å, and 10.945 Å. Due to the doping with F, the crystal features eight extra electrons per unit cell, whereby each of these electrons is trapped by one of the surrounding Ti atoms in the cell. Notably, the ground state of the system corresponds to a ferromagnetic spin configuration (i.e., S=4). The deintercalation of Rb leads to the oxidation of the Ti atoms in the cell (i.e., from Ti3+ to Ti4+) and to reduced magnetic moments. The material promises interesting electrochemical properties for the cathode: rather high average voltages above 2.8 V and modest volume shrinkages below 13% even in the fully deintercalated case are predicted.</jats:p>"}],"issue":"1","publication":"Crystals","doi":"10.3390/cryst14010005","article_number":"5","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2024-06-24T06:30:13Z","intvolume":"        14","year":"2023","title":"Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles","author":[{"full_name":"Bocchini, Adriana","first_name":"Adriana","orcid":"0000-0002-2134-3075","last_name":"Bocchini","id":"58349"},{"full_name":"Xie, Yingjie","first_name":"Yingjie","last_name":"Xie"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"},{"id":"171","orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe"}],"publication_identifier":{"issn":["2073-4352"]}},{"status":"public","volume":134,"user_id":"16199","_id":"54853","publisher":"AIP Publishing","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"bibtex":"@article{Murzakhanov_Sadovnikova_Mamin_Nagalyuk_von Bardeleben_Schmidt_Biktagirov_Gerstmann_Soltamov_2023, title={14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study}, volume={134}, DOI={<a href=\"https://doi.org/10.1063/5.0170099\">10.1063/5.0170099</a>}, number={12}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Murzakhanov, F. F. and Sadovnikova, M. A. and Mamin, G. V. and Nagalyuk, S. S. and von Bardeleben, H. J. and Schmidt, Wolf Gero and Biktagirov, Timur and Gerstmann, Uwe and Soltamov, V. A.}, year={2023} }","ama":"Murzakhanov FF, Sadovnikova MA, Mamin GV, et al. 14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study. <i>Journal of Applied Physics</i>. 2023;134(12). doi:<a href=\"https://doi.org/10.1063/5.0170099\">10.1063/5.0170099</a>","mla":"Murzakhanov, F. F., et al. “14N Hyperfine and Nuclear Interactions of Axial and Basal NV Centers in 4H-SiC: A High Frequency (94 GHz) ENDOR Study.” <i>Journal of Applied Physics</i>, vol. 134, no. 12, AIP Publishing, 2023, doi:<a href=\"https://doi.org/10.1063/5.0170099\">10.1063/5.0170099</a>.","short":"F.F. Murzakhanov, M.A. Sadovnikova, G.V. Mamin, S.S. Nagalyuk, H.J. von Bardeleben, W.G. Schmidt, T. Biktagirov, U. Gerstmann, V.A. Soltamov, Journal of Applied Physics 134 (2023).","chicago":"Murzakhanov, F. F., M. A. Sadovnikova, G. V. Mamin, S. S. Nagalyuk, H. J. von Bardeleben, Wolf Gero Schmidt, Timur Biktagirov, Uwe Gerstmann, and V. A. Soltamov. “14N Hyperfine and Nuclear Interactions of Axial and Basal NV Centers in 4H-SiC: A High Frequency (94 GHz) ENDOR Study.” <i>Journal of Applied Physics</i> 134, no. 12 (2023). <a href=\"https://doi.org/10.1063/5.0170099\">https://doi.org/10.1063/5.0170099</a>.","ieee":"F. F. Murzakhanov <i>et al.</i>, “14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study,” <i>Journal of Applied Physics</i>, vol. 134, no. 12, 2023, doi: <a href=\"https://doi.org/10.1063/5.0170099\">10.1063/5.0170099</a>.","apa":"Murzakhanov, F. F., Sadovnikova, M. A., Mamin, G. V., Nagalyuk, S. S., von Bardeleben, H. J., Schmidt, W. G., Biktagirov, T., Gerstmann, U., &#38; Soltamov, V. A. (2023). 14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study. <i>Journal of Applied Physics</i>, <i>134</i>(12). <a href=\"https://doi.org/10.1063/5.0170099\">https://doi.org/10.1063/5.0170099</a>"},"intvolume":"       134","publication_status":"published","date_updated":"2024-06-24T06:30:19Z","author":[{"first_name":"F. F.","last_name":"Murzakhanov","full_name":"Murzakhanov, F. F."},{"full_name":"Sadovnikova, M. A.","first_name":"M. A.","last_name":"Sadovnikova"},{"last_name":"Mamin","first_name":"G. V.","full_name":"Mamin, G. V."},{"first_name":"S. S.","last_name":"Nagalyuk","full_name":"Nagalyuk, S. S."},{"full_name":"von Bardeleben, H. J.","first_name":"H. J.","last_name":"von Bardeleben"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"},{"last_name":"Biktagirov","first_name":"Timur","full_name":"Biktagirov, Timur","id":"65612"},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe"},{"first_name":"V. A.","last_name":"Soltamov","full_name":"Soltamov, V. A."}],"publication_identifier":{"issn":["0021-8979","1089-7550"]},"year":"2023","title":"14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study","doi":"10.1063/5.0170099","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"<jats:p>The nitrogen-vacancy (NV) centers (NCVSi)− in 4H silicon carbide (SiC) constitute an ensemble of spin S = 1 solid state qubits interacting with the surrounding 14N and 29Si nuclei. As quantum applications based on a polarization transfer from the electron spin to the nuclei require the knowledge of the electron–nuclear interaction parameters, we have used high-frequency (94 GHz) electron–nuclear double resonance spectroscopy combined with first-principles density functional theory to investigate the hyperfine and nuclear quadrupole interactions of the basal and axial NV centers. We observed that the four inequivalent NV configurations (hk, kh, hh, and kk) exhibit different electron–nuclear interaction parameters, suggesting that each NV center may act as a separate optically addressable qubit. Finally, we rationalized the observed differences in terms of distinctions in the local atomic structures of the NV configurations. Thus, our results provide the basic knowledge for an extension of quantum protocols involving the 14N nuclear spin.</jats:p>"}],"issue":"12","publication":"Journal of Applied Physics","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"27"},{"_id":"230"}],"type":"journal_article","date_created":"2024-06-24T06:18:17Z"},{"abstract":[{"text":"<jats:p>Composites of different graphene oxide types, TiO<jats:sub>2</jats:sub> materials, and especially synthetic routes influence the photocatalytic activity of the resulting material.</jats:p>","lang":"eng"}],"publication":"Catalysis Science &amp; Technology","issue":"15","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"27"},{"_id":"230"}],"type":"journal_article","date_created":"2024-06-24T06:12:50Z","intvolume":"        13","publication_status":"published","date_updated":"2024-06-24T06:30:04Z","publication_identifier":{"issn":["2044-4753","2044-4761"]},"author":[{"full_name":"Rosenthal, Marta","first_name":"Marta","last_name":"Rosenthal"},{"id":"65612","full_name":"Biktagirov, Timur","last_name":"Biktagirov","first_name":"Timur"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"first_name":"René","last_name":"Wilhelm","full_name":"Wilhelm, René"}],"title":"Synthesis of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites and their evaluation as photocatalysts","year":"2023","doi":"10.1039/d3cy00461a","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"chicago":"Rosenthal, Marta, Timur Biktagirov, Wolf Gero Schmidt, and René Wilhelm. “Synthesis of New Graphene Oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> Nanocomposites and Their Evaluation as Photocatalysts.” <i>Catalysis Science &#38;amp; Technology</i> 13, no. 15 (2023): 4367–77. <a href=\"https://doi.org/10.1039/d3cy00461a\">https://doi.org/10.1039/d3cy00461a</a>.","short":"M. Rosenthal, T. Biktagirov, W.G. Schmidt, R. Wilhelm, Catalysis Science &#38;amp; Technology 13 (2023) 4367–4377.","ieee":"M. Rosenthal, T. Biktagirov, W. G. Schmidt, and R. Wilhelm, “Synthesis of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites and their evaluation as photocatalysts,” <i>Catalysis Science &#38;amp; Technology</i>, vol. 13, no. 15, pp. 4367–4377, 2023, doi: <a href=\"https://doi.org/10.1039/d3cy00461a\">10.1039/d3cy00461a</a>.","apa":"Rosenthal, M., Biktagirov, T., Schmidt, W. G., &#38; Wilhelm, R. (2023). Synthesis of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites and their evaluation as photocatalysts. <i>Catalysis Science &#38;amp; Technology</i>, <i>13</i>(15), 4367–4377. <a href=\"https://doi.org/10.1039/d3cy00461a\">https://doi.org/10.1039/d3cy00461a</a>","bibtex":"@article{Rosenthal_Biktagirov_Schmidt_Wilhelm_2023, title={Synthesis of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites and their evaluation as photocatalysts}, volume={13}, DOI={<a href=\"https://doi.org/10.1039/d3cy00461a\">10.1039/d3cy00461a</a>}, number={15}, journal={Catalysis Science &#38;amp; Technology}, publisher={Royal Society of Chemistry (RSC)}, author={Rosenthal, Marta and Biktagirov, Timur and Schmidt, Wolf Gero and Wilhelm, René}, year={2023}, pages={4367–4377} }","ama":"Rosenthal M, Biktagirov T, Schmidt WG, Wilhelm R. Synthesis of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites and their evaluation as photocatalysts. <i>Catalysis Science &#38;amp; Technology</i>. 2023;13(15):4367-4377. doi:<a href=\"https://doi.org/10.1039/d3cy00461a\">10.1039/d3cy00461a</a>","mla":"Rosenthal, Marta, et al. “Synthesis of New Graphene Oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> Nanocomposites and Their Evaluation as Photocatalysts.” <i>Catalysis Science &#38;amp; Technology</i>, vol. 13, no. 15, Royal Society of Chemistry (RSC), 2023, pp. 4367–77, doi:<a href=\"https://doi.org/10.1039/d3cy00461a\">10.1039/d3cy00461a</a>."},"status":"public","volume":13,"user_id":"16199","_id":"54851","publisher":"Royal Society of Chemistry (RSC)","page":"4367-4377"},{"language":[{"iso":"eng"}],"doi":"10.1021/acs.jpcc.2c07316","author":[{"first_name":"Lukas","last_name":"Meier","full_name":"Meier, Lukas"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"}],"publication_identifier":{"issn":["1932-7447","1932-7455"]},"year":"2023","title":"Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties","intvolume":"       127","date_updated":"2024-06-24T06:30:35Z","publication_status":"published","date_created":"2024-06-24T06:10:39Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"27"},{"_id":"230"}],"type":"journal_article","publication":"The Journal of Physical Chemistry C","issue":"4","_id":"54850","publisher":"American Chemical Society (ACS)","page":"1973-1980","volume":127,"user_id":"16199","status":"public","citation":{"ama":"Meier L, Schmidt WG. Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties. <i>The Journal of Physical Chemistry C</i>. 2023;127(4):1973-1980. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.2c07316\">10.1021/acs.jpcc.2c07316</a>","bibtex":"@article{Meier_Schmidt_2023, title={Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties}, volume={127}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.2c07316\">10.1021/acs.jpcc.2c07316</a>}, number={4}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Meier, Lukas and Schmidt, Wolf Gero}, year={2023}, pages={1973–1980} }","mla":"Meier, Lukas, and Wolf Gero Schmidt. “Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties.” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 4, American Chemical Society (ACS), 2023, pp. 1973–80, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.2c07316\">10.1021/acs.jpcc.2c07316</a>.","short":"L. Meier, W.G. Schmidt, The Journal of Physical Chemistry C 127 (2023) 1973–1980.","chicago":"Meier, Lukas, and Wolf Gero Schmidt. “Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties.” <i>The Journal of Physical Chemistry C</i> 127, no. 4 (2023): 1973–80. <a href=\"https://doi.org/10.1021/acs.jpcc.2c07316\">https://doi.org/10.1021/acs.jpcc.2c07316</a>.","apa":"Meier, L., &#38; Schmidt, W. G. (2023). Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties. <i>The Journal of Physical Chemistry C</i>, <i>127</i>(4), 1973–1980. <a href=\"https://doi.org/10.1021/acs.jpcc.2c07316\">https://doi.org/10.1021/acs.jpcc.2c07316</a>","ieee":"L. Meier and W. G. Schmidt, “Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties,” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 4, pp. 1973–1980, 2023, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.2c07316\">10.1021/acs.jpcc.2c07316</a>."},"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}]},{"abstract":[{"lang":"eng","text":"The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates to existing software. These challenges have to be balanced against constantly changing personnel. At the same time, there is a wide range of applications for HISQ fermions in QCD studies. This situation encourages the development of software featuring a HISQ action that is flexible, high-performing, open source, easy to use, and easy to adapt. In this technical paper, we explain the design strategy, provide implementation details, list available algorithms and modules, and show key performance indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD calculations, mainly developed and used by the HotQCD collaboration. The code is publicly available on GitHub."}],"citation":{"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>.","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).","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>.","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} }","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>","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>."},"publication":"Computer Physics Communications","department":[{"_id":"27"}],"type":"journal_article","date_created":"2023-07-24T10:55:25Z","date_updated":"2023-07-26T09:21:35Z","author":[{"full_name":"Mazur, Lukas","orcid":" 0000-0001-6304-7082","first_name":"Lukas","last_name":"Mazur","id":"90492"},{"full_name":"Bollweg, Dennis","last_name":"Bollweg","first_name":"Dennis"},{"full_name":"Clarke, David A.","first_name":"David A.","last_name":"Clarke"},{"first_name":"Luis","last_name":"Altenkort","full_name":"Altenkort, Luis"},{"first_name":"Olaf","last_name":"Kaczmarek","full_name":"Kaczmarek, Olaf"},{"full_name":"Larsen, Rasmus","first_name":"Rasmus","last_name":"Larsen"},{"first_name":"Hai-Tao","last_name":"Shu","full_name":"Shu, Hai-Tao"},{"last_name":"Goswami","first_name":"Jishnu","full_name":"Goswami, Jishnu"},{"full_name":"Scior, Philipp","first_name":"Philipp","last_name":"Scior"},{"full_name":"Sandmeyer, Hauke","last_name":"Sandmeyer","first_name":"Hauke"},{"full_name":"Neumann, Marius","last_name":"Neumann","first_name":"Marius"},{"full_name":"Dick, Henrik","first_name":"Henrik","last_name":"Dick"},{"full_name":"Ali, Sajid","first_name":"Sajid","last_name":"Ali"},{"first_name":"Jangho","last_name":"Kim","full_name":"Kim, Jangho"},{"first_name":"Christian","last_name":"Schmidt","full_name":"Schmidt, Christian"},{"first_name":"Peter","last_name":"Petreczky","full_name":"Petreczky, Peter"},{"full_name":"Mukherjee, Swagato","first_name":"Swagato","last_name":"Mukherjee"}],"title":"SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations","year":"2023","status":"public","user_id":"90492","doi":"10.48550/ARXIV.2306.01098","language":[{"iso":"eng"}],"_id":"46120"},{"article_number":"014503","language":[{"iso":"eng"}],"doi":"10.1103/physrevd.108.014503","year":"2023","title":"Viscosity of pure-glue QCD from the lattice","publication_identifier":{"issn":["2470-0010","2470-0029"]},"author":[{"full_name":"Altenkort, Luis","last_name":"Altenkort","first_name":"Luis"},{"full_name":"Eller, Alexander M.","last_name":"Eller","first_name":"Alexander M."},{"last_name":"Francis","first_name":"Anthony","full_name":"Francis, Anthony"},{"full_name":"Kaczmarek, Olaf","first_name":"Olaf","last_name":"Kaczmarek"},{"first_name":"Lukas","orcid":" 0000-0001-6304-7082","last_name":"Mazur","full_name":"Mazur, Lukas","id":"90492"},{"full_name":"Moore, Guy D.","last_name":"Moore","first_name":"Guy D."},{"full_name":"Shu, Hai-Tao","last_name":"Shu","first_name":"Hai-Tao"}],"publication_status":"published","date_updated":"2023-07-26T09:23:32Z","intvolume":"       108","date_created":"2023-07-24T10:54:18Z","type":"journal_article","department":[{"_id":"27"}],"publication":"Physical Review D","issue":"1","publisher":"American Physical Society (APS)","_id":"46119","user_id":"90492","volume":108,"status":"public","citation":{"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>","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} }","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>.","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>.","short":"L. Altenkort, A.M. Eller, A. Francis, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 108 (2023).","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>","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>."},"quality_controlled":"1"},{"date_created":"2023-01-23T08:40:42Z","department":[{"_id":"27"},{"_id":"518"}],"keyword":["General Computer Science"],"type":"journal_article","publication":"ACM Transactions on Reconfigurable Technology and Systems","abstract":[{"lang":"eng","text":"<jats:p>While FPGA accelerator boards and their respective high-level design tools are maturing, there is still a lack of multi-FPGA applications, libraries, and not least, benchmarks and reference implementations towards sustained HPC usage of these devices. As in the early days of GPUs in HPC, for workloads that can reasonably be decoupled into loosely coupled working sets, multi-accelerator support can be achieved by using standard communication interfaces like MPI on the host side. However, for performance and productivity, some applications can profit from a tighter coupling of the accelerators. FPGAs offer unique opportunities here when extending the dataflow characteristics to their communication interfaces.</jats:p>\r\n          <jats:p>In this work, we extend the HPCC FPGA benchmark suite by multi-FPGA support and three missing benchmarks that particularly characterize or stress inter-device communication: b_eff, PTRANS, and LINPACK. With all benchmarks implemented for current boards with Intel and Xilinx FPGAs, we established a baseline for multi-FPGA performance. Additionally, for the communication-centric benchmarks, we explored the potential of direct FPGA-to-FPGA communication with a circuit-switched inter-FPGA network that is currently only available for one of the boards. The evaluation with parallel execution on up to 26 FPGA boards makes use of one of the largest academic FPGA installations.</jats:p>"}],"language":[{"iso":"eng"}],"main_file_link":[{"open_access":"1","url":"https://dl.acm.org/doi/10.1145/3576200"}],"doi":"10.1145/3576200","publication_identifier":{"issn":["1936-7406","1936-7414"]},"author":[{"id":"40778","full_name":"Meyer, Marius","first_name":"Marius","last_name":"Meyer"},{"last_name":"Kenter","first_name":"Tobias","full_name":"Kenter, Tobias","id":"3145"},{"full_name":"Plessl, Christian","last_name":"Plessl","orcid":"0000-0001-5728-9982","first_name":"Christian","id":"16153"}],"year":"2023","title":"Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks","publication_status":"published","date_updated":"2023-07-28T08:02:05Z","oa":"1","citation":{"bibtex":"@article{Meyer_Kenter_Plessl_2023, title={Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks}, DOI={<a href=\"https://doi.org/10.1145/3576200\">10.1145/3576200</a>}, journal={ACM Transactions on Reconfigurable Technology and Systems}, publisher={Association for Computing Machinery (ACM)}, author={Meyer, Marius and Kenter, Tobias and Plessl, Christian}, year={2023} }","ama":"Meyer M, Kenter T, Plessl C. Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks. <i>ACM Transactions on Reconfigurable Technology and Systems</i>. Published online 2023. doi:<a href=\"https://doi.org/10.1145/3576200\">10.1145/3576200</a>","mla":"Meyer, Marius, et al. “Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks.” <i>ACM Transactions on Reconfigurable Technology and Systems</i>, Association for Computing Machinery (ACM), 2023, doi:<a href=\"https://doi.org/10.1145/3576200\">10.1145/3576200</a>.","short":"M. Meyer, T. Kenter, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems (2023).","chicago":"Meyer, Marius, Tobias Kenter, and Christian Plessl. “Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks.” <i>ACM Transactions on Reconfigurable Technology and Systems</i>, 2023. <a href=\"https://doi.org/10.1145/3576200\">https://doi.org/10.1145/3576200</a>.","ieee":"M. Meyer, T. Kenter, and C. Plessl, “Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks,” <i>ACM Transactions on Reconfigurable Technology and Systems</i>, 2023, doi: <a href=\"https://doi.org/10.1145/3576200\">10.1145/3576200</a>.","apa":"Meyer, M., Kenter, T., &#38; Plessl, C. (2023). Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks. <i>ACM Transactions on Reconfigurable Technology and Systems</i>. <a href=\"https://doi.org/10.1145/3576200\">https://doi.org/10.1145/3576200</a>"},"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"SFB 901 - C: SFB 901 - Project Area C","_id":"4"},{"_id":"1","grant_number":"160364472","name":"SFB 901: SFB 901"},{"_id":"14","grant_number":"160364472","name":"SFB 901 - C2: SFB 901 - Subproject C2"}],"quality_controlled":"1","_id":"38041","publisher":"Association for Computing Machinery (ACM)","user_id":"24135","status":"public"},{"abstract":[{"lang":"eng","text":"The computation of electron repulsion integrals (ERIs) over Gaussian-type orbitals (GTOs) is a challenging problem in quantum-mechanics-based atomistic simulations. In practical simulations, several trillions of ERIs may have to be\r\ncomputed for every time step.\r\nIn this work, we investigate FPGAs as accelerators for the ERI computation. We use template parameters, here within the Intel oneAPI tool flow, to create customized designs for 256 different ERI quartet classes, based on their orbitals. To maximize data reuse, all intermediates are buffered in FPGA on-chip memory with customized layout. The pre-calculation of intermediates also helps to overcome data dependencies caused by multi-dimensional recurrence\r\nrelations. The involved loop structures are partially or even fully unrolled for high throughput of FPGA kernels. Furthermore, a lossy compression algorithm utilizing arbitrary bitwidth integers is integrated in the FPGA kernels. To our\r\nbest knowledge, this is the first work on ERI computation on FPGAs that supports more than just the single most basic quartet class. Also, the integration of ERI computation and compression it a novelty that is not even covered by CPU or GPU libraries so far.\r\nOur evaluation shows that using 16-bit integer for the ERI compression, the fastest FPGA kernels exceed the performance of 10 GERIS ($10 \\times 10^9$ ERIs per second) on one Intel Stratix 10 GX 2800 FPGA, with maximum absolute errors around $10^{-7}$ - $10^{-5}$ Hartree. The measured throughput can be accurately explained by a performance model. The FPGA kernels deployed on 2 FPGAs outperform similar computations using the widely used libint reference on a two-socket server with 40 Xeon Gold 6148 CPU cores of the same process technology by factors up to 6.0x and on a new two-socket server with 128 EPYC 7713 CPU cores by up to 1.9x."}],"quality_controlled":"1","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)","citation":{"ama":"Wu X, Kenter T, Schade R, Kühne T, Plessl C. Computing and Compressing Electron Repulsion Integrals on FPGAs. In: <i>2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>. ; 2023:162-173. doi:<a href=\"https://doi.org/10.1109/FCCM57271.2023.00026\">10.1109/FCCM57271.2023.00026</a>","short":"X. Wu, T. Kenter, R. Schade, T. Kühne, C. Plessl, in: 2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM), 2023, pp. 162–173.","chicago":"Wu, Xin, Tobias Kenter, Robert Schade, Thomas Kühne, and Christian Plessl. “Computing and Compressing Electron Repulsion Integrals on FPGAs.” In <i>2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>, 162–73, 2023. <a href=\"https://doi.org/10.1109/FCCM57271.2023.00026\">https://doi.org/10.1109/FCCM57271.2023.00026</a>.","bibtex":"@inproceedings{Wu_Kenter_Schade_Kühne_Plessl_2023, title={Computing and Compressing Electron Repulsion Integrals on FPGAs}, DOI={<a href=\"https://doi.org/10.1109/FCCM57271.2023.00026\">10.1109/FCCM57271.2023.00026</a>}, booktitle={2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)}, author={Wu, Xin and Kenter, Tobias and Schade, Robert and Kühne, Thomas and Plessl, Christian}, year={2023}, pages={162–173} }","mla":"Wu, Xin, et al. “Computing and Compressing Electron Repulsion Integrals on FPGAs.” <i>2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>, 2023, pp. 162–73, doi:<a href=\"https://doi.org/10.1109/FCCM57271.2023.00026\">10.1109/FCCM57271.2023.00026</a>.","apa":"Wu, X., Kenter, T., Schade, R., Kühne, T., &#38; Plessl, C. (2023). Computing and Compressing Electron Repulsion Integrals on FPGAs. <i>2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>, 162–173. <a href=\"https://doi.org/10.1109/FCCM57271.2023.00026\">https://doi.org/10.1109/FCCM57271.2023.00026</a>","ieee":"X. Wu, T. Kenter, R. Schade, T. Kühne, and C. Plessl, “Computing and Compressing Electron Repulsion Integrals on FPGAs,” in <i>2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>, 2023, pp. 162–173, doi: <a href=\"https://doi.org/10.1109/FCCM57271.2023.00026\">10.1109/FCCM57271.2023.00026</a>."},"type":"conference","department":[{"_id":"27"},{"_id":"518"}],"external_id":{"arxiv":["2303.13632"]},"date_created":"2023-03-30T11:15:40Z","date_updated":"2023-08-02T15:05:42Z","title":"Computing and Compressing Electron Repulsion Integrals on FPGAs","status":"public","year":"2023","author":[{"full_name":"Wu, Xin","last_name":"Wu","first_name":"Xin","id":"77439"},{"first_name":"Tobias","last_name":"Kenter","full_name":"Kenter, Tobias","id":"3145"},{"id":"75963","first_name":"Robert","last_name":"Schade","orcid":"0000-0002-6268-539","full_name":"Schade, Robert"},{"id":"49079","first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas"},{"full_name":"Plessl, Christian","orcid":"0000-0001-5728-9982","last_name":"Plessl","first_name":"Christian","id":"16153"}],"user_id":"75963","doi":"10.1109/FCCM57271.2023.00026","page":"162-173","main_file_link":[{"url":"https://ieeexplore.ieee.org/document/10171537"}],"_id":"43228","language":[{"iso":"eng"}]},{"citation":{"ieee":"R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, and C. Plessl, “Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics,” <i>The International Journal of High Performance Computing Applications</i>, Art. no. 109434202311776, 2023, doi: <a href=\"https://doi.org/10.1177/10943420231177631\">10.1177/10943420231177631</a>.","mla":"Schade, Robert, et al. “Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics.” <i>The International Journal of High Performance Computing Applications</i>, 109434202311776, SAGE Publications, 2023, doi:<a href=\"https://doi.org/10.1177/10943420231177631\">10.1177/10943420231177631</a>.","apa":"Schade, R., Kenter, T., Elgabarty, H., Lass, M., Kühne, T., &#38; Plessl, C. (2023). Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics. <i>The International Journal of High Performance Computing Applications</i>, Article 109434202311776. <a href=\"https://doi.org/10.1177/10943420231177631\">https://doi.org/10.1177/10943420231177631</a>","bibtex":"@article{Schade_Kenter_Elgabarty_Lass_Kühne_Plessl_2023, title={Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics}, DOI={<a href=\"https://doi.org/10.1177/10943420231177631\">10.1177/10943420231177631</a>}, number={109434202311776}, journal={The International Journal of High Performance Computing Applications}, publisher={SAGE Publications}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and Plessl, Christian}, year={2023} }","chicago":"Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas Kühne, and Christian Plessl. “Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics.” <i>The International Journal of High Performance Computing Applications</i>, 2023. <a href=\"https://doi.org/10.1177/10943420231177631\">https://doi.org/10.1177/10943420231177631</a>.","short":"R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, C. Plessl, The International Journal of High Performance Computing Applications (2023).","ama":"Schade R, Kenter T, Elgabarty H, Lass M, Kühne T, Plessl C. Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics. <i>The International Journal of High Performance Computing Applications</i>. Published online 2023. doi:<a href=\"https://doi.org/10.1177/10943420231177631\">10.1177/10943420231177631</a>"},"quality_controlled":"1","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"oa":"1","status":"public","_id":"45361","publisher":"SAGE Publications","user_id":"75963","publication":"The International Journal of High Performance Computing Applications","abstract":[{"text":"<jats:p> The non-orthogonal local submatrix method applied to electronic structure–based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32-mixed floating-point arithmetic when using 4400 NVIDIA A100 GPUs of the Perlmutter system. This is enabled by a modification of the original method that pushes the sustained fraction of the peak performance to about 80%. Example calculations are performed for SARS-CoV-2 spike proteins with up to 83 million atoms. </jats:p>","lang":"eng"}],"date_created":"2023-05-30T09:19:09Z","keyword":["Hardware and Architecture","Theoretical Computer Science","Software"],"type":"journal_article","department":[{"_id":"27"},{"_id":"518"}],"year":"2023","title":"Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics","author":[{"full_name":"Schade, Robert","last_name":"Schade","orcid":"0000-0002-6268-539","first_name":"Robert","id":"75963"},{"id":"3145","last_name":"Kenter","first_name":"Tobias","full_name":"Kenter, Tobias"},{"full_name":"Elgabarty, Hossam","orcid":"0000-0002-4945-1481","last_name":"Elgabarty","first_name":"Hossam","id":"60250"},{"last_name":"Lass","first_name":"Michael","orcid":"0000-0002-5708-7632","full_name":"Lass, Michael","id":"24135"},{"full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas","id":"49079"},{"id":"16153","orcid":"0000-0001-5728-9982","first_name":"Christian","last_name":"Plessl","full_name":"Plessl, Christian"}],"publication_identifier":{"issn":["1094-3420","1741-2846"]},"publication_status":"published","date_updated":"2023-08-02T15:04:53Z","article_type":"original","article_number":"109434202311776","main_file_link":[{"open_access":"1","url":"https://journals.sagepub.com/doi/10.1177/10943420231177631"}],"language":[{"iso":"eng"}],"doi":"10.1177/10943420231177631"},{"oa":"1","project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"name":"TRR 142 - C: TRR 142 - Project Area C","_id":"56"},{"_id":"174","name":"TRR 142 - C10: TRR 142 -  Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse (C10*)"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"bibtex":"@article{Scharwald_Meier_Sharapova_2023, title={Phase sensitivity of spatially broadband high-gain SU(1,1) interferometers}, volume={5}, DOI={<a href=\"https://doi.org/10.1103/physrevresearch.5.043158\">10.1103/physrevresearch.5.043158</a>}, number={4043158}, journal={Physical Review Research}, publisher={American Physical Society (APS)}, author={Scharwald, Dennis and Meier, Torsten and Sharapova, Polina}, year={2023} }","chicago":"Scharwald, Dennis, Torsten Meier, and Polina Sharapova. “Phase Sensitivity of Spatially Broadband High-Gain SU(1,1) Interferometers.” <i>Physical Review Research</i> 5, no. 4 (2023). <a href=\"https://doi.org/10.1103/physrevresearch.5.043158\">https://doi.org/10.1103/physrevresearch.5.043158</a>.","ama":"Scharwald D, Meier T, Sharapova P. Phase sensitivity of spatially broadband high-gain SU(1,1) interferometers. <i>Physical Review Research</i>. 2023;5(4). doi:<a href=\"https://doi.org/10.1103/physrevresearch.5.043158\">10.1103/physrevresearch.5.043158</a>","short":"D. Scharwald, T. Meier, P. Sharapova, Physical Review Research 5 (2023).","ieee":"D. Scharwald, T. Meier, and P. Sharapova, “Phase sensitivity of spatially broadband high-gain SU(1,1) interferometers,” <i>Physical Review Research</i>, vol. 5, no. 4, Art. no. 043158, 2023, doi: <a href=\"https://doi.org/10.1103/physrevresearch.5.043158\">10.1103/physrevresearch.5.043158</a>.","apa":"Scharwald, D., Meier, T., &#38; Sharapova, P. (2023). Phase sensitivity of spatially broadband high-gain SU(1,1) interferometers. <i>Physical Review Research</i>, <i>5</i>(4), Article 043158. <a href=\"https://doi.org/10.1103/physrevresearch.5.043158\">https://doi.org/10.1103/physrevresearch.5.043158</a>","mla":"Scharwald, Dennis, et al. “Phase Sensitivity of Spatially Broadband High-Gain SU(1,1) Interferometers.” <i>Physical Review Research</i>, vol. 5, no. 4, 043158, American Physical Society (APS), 2023, doi:<a href=\"https://doi.org/10.1103/physrevresearch.5.043158\">10.1103/physrevresearch.5.043158</a>."},"user_id":"55907","volume":5,"_id":"55900","publisher":"American Physical Society (APS)","status":"public","type":"journal_article","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"293"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"623"},{"_id":"27"}],"date_created":"2024-08-30T04:48:05Z","publication":"Physical Review Research","issue":"4","doi":"10.1103/physrevresearch.5.043158","main_file_link":[{"url":"https://journals.aps.org/prresearch/pdf/10.1103/PhysRevResearch.5.043158","open_access":"1"}],"article_number":"043158","language":[{"iso":"eng"}],"date_updated":"2026-02-01T13:21:22Z","publication_status":"published","intvolume":"         5","year":"2023","title":"Phase sensitivity of spatially broadband high-gain SU(1,1) interferometers","publication_identifier":{"issn":["2643-1564"]},"author":[{"orcid":"0009-0007-5654-5412","last_name":"Scharwald","first_name":"Dennis","full_name":"Scharwald, Dennis","id":"55907"},{"id":"344","orcid":"0000-0001-8864-2072","first_name":"Torsten","last_name":"Meier","full_name":"Meier, Torsten"},{"last_name":"Sharapova","first_name":"Polina","full_name":"Sharapova, Polina"}]},{"citation":{"mla":"Bauch, David, et al. “On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs.” <i>Advanced Quantum Technologies</i>, vol. 7, no. 1, 2300142, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/qute.202300142\">10.1002/qute.202300142</a>.","ama":"Bauch D, Siebert D, Jöns KD, Förstner J, Schumacher S. On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs. <i>Advanced Quantum Technologies</i>. 2023;7(1). doi:<a href=\"https://doi.org/10.1002/qute.202300142\">10.1002/qute.202300142</a>","bibtex":"@article{Bauch_Siebert_Jöns_Förstner_Schumacher_2023, title={On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs}, volume={7}, DOI={<a href=\"https://doi.org/10.1002/qute.202300142\">10.1002/qute.202300142</a>}, number={12300142}, journal={Advanced Quantum Technologies}, publisher={Wiley}, author={Bauch, David and Siebert, Dustin and Jöns, Klaus D. and Förstner, Jens and Schumacher, Stefan}, year={2023} }","apa":"Bauch, D., Siebert, D., Jöns, K. D., Förstner, J., &#38; Schumacher, S. (2023). On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs. <i>Advanced Quantum Technologies</i>, <i>7</i>(1), Article 2300142. <a href=\"https://doi.org/10.1002/qute.202300142\">https://doi.org/10.1002/qute.202300142</a>","ieee":"D. Bauch, D. Siebert, K. D. Jöns, J. Förstner, and S. Schumacher, “On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs,” <i>Advanced Quantum Technologies</i>, vol. 7, no. 1, Art. no. 2300142, 2023, doi: <a href=\"https://doi.org/10.1002/qute.202300142\">10.1002/qute.202300142</a>.","chicago":"Bauch, David, Dustin Siebert, Klaus D. Jöns, Jens Förstner, and Stefan Schumacher. “On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs.” <i>Advanced Quantum Technologies</i> 7, no. 1 (2023). <a href=\"https://doi.org/10.1002/qute.202300142\">https://doi.org/10.1002/qute.202300142</a>.","short":"D. Bauch, D. Siebert, K.D. Jöns, J. Förstner, S. Schumacher, Advanced Quantum Technologies 7 (2023)."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"56","name":"TRR 142 - Project Area C"},{"_id":"167","name":"TRR 142; TP B06: Ultraschnelle kohärente opto-elektronische Kontrolle eines photonischen Quantensystems"},{"name":"TRR 142; TP C09: Ideale Erzeugung von Photonenpaaren für Verschränkungsaustausch bei Telekom Wellenlängen","_id":"173"},{"name":"PhoQC: Photonisches Quantencomputing","_id":"266"}],"_id":"61252","publisher":"Wiley","user_id":"16199","volume":7,"status":"public","date_created":"2025-09-12T11:11:56Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"642"},{"_id":"61"},{"_id":"230"},{"_id":"35"},{"_id":"34"},{"_id":"429"},{"_id":"27"},{"_id":"623"}],"issue":"1","publication":"Advanced Quantum Technologies","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>The biexciton‐exciton emission cascade commonly used in quantum‐dot systems to generate polarization entanglement yields photons with intrinsically limited indistinguishability. In the present work, it focuses on the generation of pairs of photons with high degrees of polarization entanglement and simultaneously high indistinguishability. It achieves this goal by selectively reducing the biexciton lifetime with an optical resonator. It demonstrates that a suitably tailored circular Bragg reflector fulfills the requirements of sufficient selective Purcell enhancement of biexciton emission paired with spectrally broad photon extraction and twofold degenerate optical modes. The in‐depth theoretical study combines (i) the optimization of realistic photonic structures solving Maxwell's equations from which model parameters are extracted as input for (ii) microscopic simulations of quantum‐dot cavity excitation dynamics with full access to photon properties. It reports non‐trivial dependencies on system parameters and use the predictive power of the combined theoretical approach to determine the optimal range of Purcell enhancement that maximizes indistinguishability and entanglement to near unity values, here specifically for the telecom C‐band at 1550 nm.</jats:p>"}],"article_number":"2300142","language":[{"iso":"eng"}],"doi":"10.1002/qute.202300142","year":"2023","title":"On‐Demand Indistinguishable and Entangled Photons Using Tailored Cavity Designs","author":[{"full_name":"Bauch, David","last_name":"Bauch","first_name":"David"},{"first_name":"Dustin","last_name":"Siebert","full_name":"Siebert, Dustin"},{"full_name":"Jöns, Klaus D.","first_name":"Klaus D.","last_name":"Jöns","id":"85353"},{"first_name":"Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner","full_name":"Förstner, Jens","id":"158"},{"full_name":"Schumacher, Stefan","last_name":"Schumacher","first_name":"Stefan","orcid":"0000-0003-4042-4951","id":"27271"}],"publication_identifier":{"issn":["2511-9044","2511-9044"]},"publication_status":"published","date_updated":"2025-09-12T11:16:12Z","intvolume":"         7"},{"citation":{"mla":"Lüders, Carolin, et al. “Continuous-Variable Quantum Optics and Resource Theory for Ultrafast Semiconductor Spectroscopy [Invited].” <i>Optical Materials Express</i>, vol. 13, no. 11, 2997, Optica Publishing Group, 2023, doi:<a href=\"https://doi.org/10.1364/ome.497006\">10.1364/ome.497006</a>.","bibtex":"@article{Lüders_Barkhausen_Pukrop_Rozas_Sperling_Schumacher_Aßmann_2023, title={Continuous-variable quantum optics and resource theory for ultrafast semiconductor spectroscopy [Invited]}, volume={13}, DOI={<a href=\"https://doi.org/10.1364/ome.497006\">10.1364/ome.497006</a>}, number={112997}, journal={Optical Materials Express}, publisher={Optica Publishing Group}, author={Lüders, Carolin and Barkhausen, Franziska and Pukrop, Matthias and Rozas, Elena and Sperling, Jan and Schumacher, Stefan and Aßmann, Marc}, year={2023} }","ama":"Lüders C, Barkhausen F, Pukrop M, et al. Continuous-variable quantum optics and resource theory for ultrafast semiconductor spectroscopy [Invited]. <i>Optical Materials Express</i>. 2023;13(11). doi:<a href=\"https://doi.org/10.1364/ome.497006\">10.1364/ome.497006</a>","ieee":"C. Lüders <i>et al.</i>, “Continuous-variable quantum optics and resource theory for ultrafast semiconductor spectroscopy [Invited],” <i>Optical Materials Express</i>, vol. 13, no. 11, Art. no. 2997, 2023, doi: <a href=\"https://doi.org/10.1364/ome.497006\">10.1364/ome.497006</a>.","apa":"Lüders, C., Barkhausen, F., Pukrop, M., Rozas, E., Sperling, J., Schumacher, S., &#38; Aßmann, M. (2023). Continuous-variable quantum optics and resource theory for ultrafast semiconductor spectroscopy [Invited]. <i>Optical Materials Express</i>, <i>13</i>(11), Article 2997. <a href=\"https://doi.org/10.1364/ome.497006\">https://doi.org/10.1364/ome.497006</a>","short":"C. Lüders, F. Barkhausen, M. Pukrop, E. Rozas, J. Sperling, S. Schumacher, M. Aßmann, Optical Materials Express 13 (2023).","chicago":"Lüders, Carolin, Franziska Barkhausen, Matthias Pukrop, Elena Rozas, Jan Sperling, Stefan Schumacher, and Marc Aßmann. “Continuous-Variable Quantum Optics and Resource Theory for Ultrafast Semiconductor Spectroscopy [Invited].” <i>Optical Materials Express</i> 13, no. 11 (2023). <a href=\"https://doi.org/10.1364/ome.497006\">https://doi.org/10.1364/ome.497006</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PhoQC: Photonisches Quantencomputing","_id":"266"}],"status":"public","publisher":"Optica Publishing Group","_id":"61266","user_id":"16199","volume":13,"publication":"Optical Materials Express","issue":"11","abstract":[{"lang":"eng","text":"<jats:p>This review examines the use of continuous-variable spectroscopy techniques for investigating quantum coherence and light-matter interactions in semiconductor systems with ultrafast dynamics. Special emphasis is placed on multichannel homodyne detection as a powerful tool to measure the quantum coherence and the full density matrix of a polariton system. Observations, such as coherence times that exceed the nanosecond scale obtained by monitoring the temporal decay of quantum coherence in a polariton condensate, are discussed. Proof-of-concept experiments and numerical simulations that demonstrate the enhanced resourcefulness of the produced system states for modern quantum protocols are assessed. The combination of tailored resource quantifiers and ultrafast spectroscopy techniques that have recently been demonstrated paves the way for future applications of quantum information technologies.</jats:p>"}],"date_created":"2025-09-12T11:40:26Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"706"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"623"}],"title":"Continuous-variable quantum optics and resource theory for ultrafast semiconductor spectroscopy [Invited]","year":"2023","author":[{"last_name":"Lüders","first_name":"Carolin","full_name":"Lüders, Carolin"},{"id":"63631","first_name":"Franziska","last_name":"Barkhausen","full_name":"Barkhausen, Franziska"},{"full_name":"Pukrop, Matthias","first_name":"Matthias","last_name":"Pukrop"},{"first_name":"Elena","last_name":"Rozas","full_name":"Rozas, Elena"},{"id":"75127","full_name":"Sperling, Jan","orcid":"0000-0002-5844-3205","last_name":"Sperling","first_name":"Jan"},{"id":"27271","first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","full_name":"Schumacher, Stefan"},{"full_name":"Aßmann, Marc","first_name":"Marc","last_name":"Aßmann"}],"publication_identifier":{"issn":["2159-3930"]},"date_updated":"2025-09-12T11:41:42Z","publication_status":"published","intvolume":"        13","article_number":"2997","language":[{"iso":"eng"}],"doi":"10.1364/ome.497006"},{"year":"2023","title":"Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>","author":[{"last_name":"Yu","first_name":"Yueyang","full_name":"Yu, Yueyang"},{"last_name":"Dong","first_name":"Chuan-Ding","full_name":"Dong, Chuan-Ding"},{"last_name":"Binder","first_name":"Rolf","full_name":"Binder, Rolf"},{"id":"27271","full_name":"Schumacher, Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan"},{"first_name":"Cun-Zheng","last_name":"Ning","full_name":"Ning, Cun-Zheng"}],"publication_identifier":{"issn":["1936-0851","1936-086X"]},"publication_status":"published","date_updated":"2025-09-12T11:37:52Z","intvolume":"        17","language":[{"iso":"eng"}],"doi":"10.1021/acsnano.2c01665","issue":"5","publication":"ACS Nano","date_created":"2025-09-12T11:36:52Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"status":"public","page":"4230-4238","_id":"61264","publisher":"American Chemical Society (ACS)","user_id":"16199","volume":17,"citation":{"ieee":"Y. Yu, C.-D. Dong, R. Binder, S. Schumacher, and C.-Z. Ning, “Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>,” <i>ACS Nano</i>, vol. 17, no. 5, pp. 4230–4238, 2023, doi: <a href=\"https://doi.org/10.1021/acsnano.2c01665\">10.1021/acsnano.2c01665</a>.","mla":"Yu, Yueyang, et al. “Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>.” <i>ACS Nano</i>, vol. 17, no. 5, American Chemical Society (ACS), 2023, pp. 4230–38, doi:<a href=\"https://doi.org/10.1021/acsnano.2c01665\">10.1021/acsnano.2c01665</a>.","apa":"Yu, Y., Dong, C.-D., Binder, R., Schumacher, S., &#38; Ning, C.-Z. (2023). Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>. <i>ACS Nano</i>, <i>17</i>(5), 4230–4238. <a href=\"https://doi.org/10.1021/acsnano.2c01665\">https://doi.org/10.1021/acsnano.2c01665</a>","bibtex":"@article{Yu_Dong_Binder_Schumacher_Ning_2023, title={Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>}, volume={17}, DOI={<a href=\"https://doi.org/10.1021/acsnano.2c01665\">10.1021/acsnano.2c01665</a>}, number={5}, journal={ACS Nano}, publisher={American Chemical Society (ACS)}, author={Yu, Yueyang and Dong, Chuan-Ding and Binder, Rolf and Schumacher, Stefan and Ning, Cun-Zheng}, year={2023}, pages={4230–4238} }","chicago":"Yu, Yueyang, Chuan-Ding Dong, Rolf Binder, Stefan Schumacher, and Cun-Zheng Ning. “Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>.” <i>ACS Nano</i> 17, no. 5 (2023): 4230–38. <a href=\"https://doi.org/10.1021/acsnano.2c01665\">https://doi.org/10.1021/acsnano.2c01665</a>.","short":"Y. Yu, C.-D. Dong, R. Binder, S. Schumacher, C.-Z. Ning, ACS Nano 17 (2023) 4230–4238.","ama":"Yu Y, Dong C-D, Binder R, Schumacher S, Ning C-Z. Strain-Induced Indirect-to-Direct Bandgap Transition, Photoluminescence Enhancement, and Linewidth Reduction in Bilayer MoTe<sub>2</sub>. <i>ACS Nano</i>. 2023;17(5):4230-4238. doi:<a href=\"https://doi.org/10.1021/acsnano.2c01665\">10.1021/acsnano.2c01665</a>"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}]},{"status":"public","publisher":"Royal Society of Chemistry (RSC)","_id":"61267","page":"12992-12998","volume":11,"user_id":"16199","citation":{"mla":"Bauch, Fabian, et al. “Dynamics-Induced Charge Transfer in Semiconducting Conjugated Polymers.” <i>Journal of Materials Chemistry C</i>, vol. 11, no. 38, Royal Society of Chemistry (RSC), 2023, pp. 12992–98, doi:<a href=\"https://doi.org/10.1039/d3tc02263c\">10.1039/d3tc02263c</a>.","ama":"Bauch F, Dong C-D, Schumacher S. Dynamics-induced charge transfer in semiconducting conjugated polymers. <i>Journal of Materials Chemistry C</i>. 2023;11(38):12992-12998. doi:<a href=\"https://doi.org/10.1039/d3tc02263c\">10.1039/d3tc02263c</a>","bibtex":"@article{Bauch_Dong_Schumacher_2023, title={Dynamics-induced charge transfer in semiconducting conjugated polymers}, volume={11}, DOI={<a href=\"https://doi.org/10.1039/d3tc02263c\">10.1039/d3tc02263c</a>}, number={38}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2023}, pages={12992–12998} }","apa":"Bauch, F., Dong, C.-D., &#38; Schumacher, S. (2023). Dynamics-induced charge transfer in semiconducting conjugated polymers. <i>Journal of Materials Chemistry C</i>, <i>11</i>(38), 12992–12998. <a href=\"https://doi.org/10.1039/d3tc02263c\">https://doi.org/10.1039/d3tc02263c</a>","ieee":"F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics-induced charge transfer in semiconducting conjugated polymers,” <i>Journal of Materials Chemistry C</i>, vol. 11, no. 38, pp. 12992–12998, 2023, doi: <a href=\"https://doi.org/10.1039/d3tc02263c\">10.1039/d3tc02263c</a>.","chicago":"Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics-Induced Charge Transfer in Semiconducting Conjugated Polymers.” <i>Journal of Materials Chemistry C</i> 11, no. 38 (2023): 12992–98. <a href=\"https://doi.org/10.1039/d3tc02263c\">https://doi.org/10.1039/d3tc02263c</a>.","short":"F. Bauch, C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 11 (2023) 12992–12998."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication_identifier":{"issn":["2050-7526","2050-7534"]},"author":[{"full_name":"Bauch, Fabian","first_name":"Fabian","last_name":"Bauch"},{"full_name":"Dong, Chuan-Ding","first_name":"Chuan-Ding","last_name":"Dong"},{"last_name":"Schumacher","first_name":"Stefan","orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan","id":"27271"}],"title":"Dynamics-induced charge transfer in semiconducting conjugated polymers","year":"2023","intvolume":"        11","publication_status":"published","date_updated":"2025-09-12T11:43:49Z","language":[{"iso":"eng"}],"doi":"10.1039/d3tc02263c","issue":"38","publication":"Journal of Materials Chemistry C","abstract":[{"text":"<jats:p>Dynamics-induced interchain charge transfer in a polymer aggregate in stack configuration can be understood by single-oligomer polaron energy.</jats:p>","lang":"eng"}],"date_created":"2025-09-12T11:43:03Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article"}]