--- _id: '33684' article_number: '102920' author: - first_name: Robert full_name: Schade, Robert id: '75963' last_name: Schade orcid: 0000-0002-6268-539 - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Hossam full_name: Elgabarty, Hossam id: '60250' last_name: Elgabarty orcid: 0000-0002-4945-1481 - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Ole full_name: Schütt, Ole last_name: Schütt - first_name: Alfio full_name: Lazzaro, Alfio last_name: Lazzaro - first_name: Hans full_name: Pabst, Hans last_name: Pabst - first_name: Stephan full_name: Mohr, Stephan last_name: Mohr - first_name: Jürg full_name: Hutter, Jürg last_name: Hutter - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing. 2022;111. doi:10.1016/j.parco.2022.102920 apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst, H., Mohr, S., Hutter, J., Kühne, T., & Plessl, C. (2022). Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing, 111, Article 102920. https://doi.org/10.1016/j.parco.2022.102920 bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2022, title={Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms}, volume={111}, DOI={10.1016/j.parco.2022.102920}, number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas and et al.}, year={2022} }' chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing 111 (2022). https://doi.org/10.1016/j.parco.2022.102920. ieee: 'R. Schade et al., “Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms,” Parallel Computing, vol. 111, Art. no. 102920, 2022, doi: 10.1016/j.parco.2022.102920.' mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing, vol. 111, 102920, Elsevier BV, 2022, doi:10.1016/j.parco.2022.102920. short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022). date_created: 2022-10-11T08:17:02Z date_updated: 2023-08-02T15:03:55Z department: - _id: '613' - _id: '27' - _id: '518' doi: 10.1016/j.parco.2022.102920 intvolume: ' 111' keyword: - Artificial Intelligence - Computer Graphics and Computer-Aided Design - Computer Networks and Communications - Hardware and Architecture - Theoretical Computer Science - Software language: - iso: eng main_file_link: - open_access: '1' url: https://www.sciencedirect.com/science/article/pii/S0167819122000242 oa: '1' project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Parallel Computing publication_identifier: issn: - 0167-8191 publication_status: published publisher: Elsevier BV quality_controlled: '1' status: public title: Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms type: journal_article user_id: '75963' volume: 111 year: '2022' ... --- _id: '27364' author: - first_name: Marius full_name: Meyer, Marius id: '40778' last_name: Meyer - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: Meyer M, Kenter T, Plessl C. In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed Computing. Published online 2022. doi:10.1016/j.jpdc.2021.10.007 apa: Meyer, M., Kenter, T., & Plessl, C. (2022). In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed Computing. https://doi.org/10.1016/j.jpdc.2021.10.007 bibtex: '@article{Meyer_Kenter_Plessl_2022, title={In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL}, DOI={10.1016/j.jpdc.2021.10.007}, journal={Journal of Parallel and Distributed Computing}, author={Meyer, Marius and Kenter, Tobias and Plessl, Christian}, year={2022} }' chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “In-Depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs Using OpenCL.” Journal of Parallel and Distributed Computing, 2022. https://doi.org/10.1016/j.jpdc.2021.10.007. ieee: 'M. Meyer, T. Kenter, and C. Plessl, “In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL,” Journal of Parallel and Distributed Computing, 2022, doi: 10.1016/j.jpdc.2021.10.007.' mla: Meyer, Marius, et al. “In-Depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs Using OpenCL.” Journal of Parallel and Distributed Computing, 2022, doi:10.1016/j.jpdc.2021.10.007. short: M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing (2022). date_created: 2021-11-10T14:36:27Z date_updated: 2023-09-26T10:26:56Z department: - _id: '27' - _id: '518' doi: 10.1016/j.jpdc.2021.10.007 language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Journal of Parallel and Distributed Computing publication_identifier: issn: - 0743-7315 publication_status: published quality_controlled: '1' status: public title: In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL type: journal_article user_id: '15278' year: '2022' ... --- _id: '44088' abstract: - lang: eng text: 'Hole polarons and defect-bound exciton polarons in lithium niobate are investigated by means of density-functional theory, where the localization of the holes is achieved by applying the +U approach to the oxygen 2p orbitals. We find three principal configurations of hole polarons: (i) self-trapped holes localized at displaced regular oxygen atoms and (ii) two other configurations bound to a lithium vacancy either at a threefold coordinated oxygen atom above or at a two-fold coordinated oxygen atom below the defect. The latter is the most stable and is in excellent quantitative agreement with measured g factors from electron paramagnetic resonance. Due to the absence of mid-gap states, none of these hole polarons can explain the broad optical absorption centered between 2.5 and 2.8 eV that is observed in transient absorption spectroscopy, but such states appear if a free electron polaron is trapped at the same lithium vacancy as the bound hole polaron, resulting in an exciton polaron. The dielectric function calculated by solving the Bethe–Salpeter equation indeed yields an optical peak at 2.6 eV in agreement with the two-photon experiments. The coexistence of hole and exciton polarons, which are simultaneously created in optical excitations, thus satisfactorily explains the reported experimental data.' article_number: '1586' article_type: original author: - first_name: Falko full_name: Schmidt, Falko id: '35251' last_name: Schmidt orcid: 0000-0002-5071-5528 - first_name: Agnieszka L. full_name: Kozub, Agnieszka L. id: '77566' last_name: Kozub orcid: 0000-0001-6584-0201 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Arno full_name: Schindlmayr, Arno id: '458' last_name: Schindlmayr orcid: 0000-0002-4855-071X citation: ama: Schmidt F, Kozub AL, Gerstmann U, Schmidt WG, Schindlmayr A. A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate. Crystals. 2022;12(11). doi:10.3390/cryst12111586 apa: Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., & Schindlmayr, A. (2022). A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate. Crystals, 12(11), Article 1586. https://doi.org/10.3390/cryst12111586 bibtex: '@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, title={A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate}, volume={12}, DOI={10.3390/cryst12111586}, number={111586}, journal={Crystals}, publisher={MDPI AG}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2022} }' chicago: Schmidt, Falko, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, and Arno Schindlmayr. “A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate.” Crystals 12, no. 11 (2022). https://doi.org/10.3390/cryst12111586. ieee: 'F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate,” Crystals, vol. 12, no. 11, Art. no. 1586, 2022, doi: 10.3390/cryst12111586.' mla: Schmidt, Falko, et al. “A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate.” Crystals, vol. 12, no. 11, 1586, MDPI AG, 2022, doi:10.3390/cryst12111586. short: F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 12 (2022). date_created: 2023-04-20T13:52:44Z date_updated: 2025-09-18T13:28:05Z ddc: - '530' department: - _id: '15' - _id: '296' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' - _id: '27' doi: 10.3390/cryst12111586 external_id: isi: - '000895837200001' file: - access_level: open_access content_type: application/pdf creator: schindlm date_created: 2023-06-11T23:59:27Z date_updated: 2023-06-12T00:22:51Z description: Creative Commons Attribution 4.0 International Public License (CC BY 4.0) file_id: '45570' file_name: crystals-12-01586-v2.pdf file_size: 1762554 relation: main_file title: A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate file_date_updated: 2023-06-12T00:22:51Z has_accepted_license: '1' intvolume: ' 12' isi: '1' issue: '11' language: - iso: eng oa: '1' project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '69' name: 'TRR 142 - B04: TRR 142 - Subproject B04' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Subproject B07' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Crystals publication_identifier: eissn: - 2073-4352 publication_status: published publisher: MDPI AG quality_controlled: '1' status: public title: A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate type: journal_article user_id: '16199' volume: 12 year: '2022' ... --- _id: '40371' abstract: - lang: eng text: Multimode integrated interferometers have great potential for both spectral engineering and metrological applications. However, the material dispersion of integrated platforms constitutes an obstacle that limits the performance and precision of such interferometers. At the same time, two-colour nonlinear interferometers present an important tool for metrological applications, when measurements in a certain frequency range are difficult. In this manuscript, we theoretically developed and investigated an integrated multimode two-colour SU(1,1) interferometer operating in a supersensitive mode. By ensuring the proper design of the integrated platform, we suppressed the dispersion, thereby significantly increasing the visibility of the interference pattern. The use of a continuous wave pump laser provided the symmetry between the spectral shapes of the signal and idler photons concerning half the pump frequency, despite different photon colours. We demonstrate that such an interferometer overcomes the classical phase sensitivity limit for wide parametric gain ranges, when up to 3×104 photons are generated. article_number: '552' author: - first_name: Alessandro full_name: Ferreri, Alessandro last_name: Ferreri - first_name: Polina R. full_name: Sharapova, Polina R. id: '60286' last_name: Sharapova citation: ama: Ferreri A, Sharapova PR. Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. Symmetry. 2022;14(3). doi:10.3390/sym14030552 apa: Ferreri, A., & Sharapova, P. R. (2022). Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. Symmetry, 14(3), Article 552. https://doi.org/10.3390/sym14030552 bibtex: '@article{Ferreri_Sharapova_2022, title={Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer}, volume={14}, DOI={10.3390/sym14030552}, number={3552}, journal={Symmetry}, publisher={MDPI AG}, author={Ferreri, Alessandro and Sharapova, Polina R.}, year={2022} }' chicago: Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” Symmetry 14, no. 3 (2022). https://doi.org/10.3390/sym14030552. ieee: 'A. Ferreri and P. R. Sharapova, “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer,” Symmetry, vol. 14, no. 3, Art. no. 552, 2022, doi: 10.3390/sym14030552.' mla: Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” Symmetry, vol. 14, no. 3, 552, MDPI AG, 2022, doi:10.3390/sym14030552. short: A. Ferreri, P.R. Sharapova, Symmetry 14 (2022). date_created: 2023-01-26T13:54:00Z date_updated: 2025-12-16T11:27:11Z department: - _id: '15' - _id: '569' - _id: '170' - _id: '429' - _id: '230' - _id: '9' - _id: '27' doi: 10.3390/sym14030552 intvolume: ' 14' issue: '3' keyword: - Physics and Astronomy (miscellaneous) - General Mathematics - Chemistry (miscellaneous) - Computer Science (miscellaneous) language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '56' name: 'TRR 142 - C: TRR 142 - Project Area C' - _id: '72' name: 'TRR 142 - C2: TRR 142 - Subproject C2' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Symmetry publication_identifier: issn: - 2073-8994 publication_status: published publisher: MDPI AG status: public title: Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer type: journal_article user_id: '16199' volume: 14 year: '2022' ... --- _id: '28099' abstract: - lang: eng text: N-body methods are one of the essential algorithmic building blocks of high-performance and parallel computing. Previous research has shown promising performance for implementing n-body simulations with pairwise force calculations on FPGAs. However, to avoid challenges with accumulation and memory access patterns, the presented designs calculate each pair of forces twice, along with both force sums of the involved particles. Also, they require large problem instances with hundreds of thousands of particles to reach their respective peak performance, limiting the applicability for strong scaling scenarios. This work addresses both issues by presenting a novel FPGA design that uses each calculated force twice and overlaps data transfers and computations in a way that allows to reach peak performance even for small problem instances, outperforming previous single precision results even in double precision, and scaling linearly over multiple interconnected FPGAs. For a comparison across architectures, we provide an equally optimized CPU reference, which for large problems actually achieves higher peak performance per device, however, given the strong scaling advantages of the FPGA design, in parallel setups with few thousand particles per device, the FPGA platform achieves highest performance and power efficiency. article_type: original author: - first_name: Johannes full_name: Menzel, Johannes last_name: Menzel - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter citation: ama: Menzel J, Plessl C, Kenter T. The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations. ACM Transactions on Reconfigurable Technology and Systems. 2021;15(1):1-30. doi:10.1145/3491235 apa: Menzel, J., Plessl, C., & Kenter, T. (2021). The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations. ACM Transactions on Reconfigurable Technology and Systems, 15(1), 1–30. https://doi.org/10.1145/3491235 bibtex: '@article{Menzel_Plessl_Kenter_2021, title={The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations}, volume={15}, DOI={10.1145/3491235}, number={1}, journal={ACM Transactions on Reconfigurable Technology and Systems}, author={Menzel, Johannes and Plessl, Christian and Kenter, Tobias}, year={2021}, pages={1–30} }' chicago: 'Menzel, Johannes, Christian Plessl, and Tobias Kenter. “The Strong Scaling Advantage of FPGAs in HPC for N-Body Simulations.” ACM Transactions on Reconfigurable Technology and Systems 15, no. 1 (2021): 1–30. https://doi.org/10.1145/3491235.' ieee: 'J. Menzel, C. Plessl, and T. Kenter, “The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations,” ACM Transactions on Reconfigurable Technology and Systems, vol. 15, no. 1, pp. 1–30, 2021, doi: 10.1145/3491235.' mla: Menzel, Johannes, et al. “The Strong Scaling Advantage of FPGAs in HPC for N-Body Simulations.” ACM Transactions on Reconfigurable Technology and Systems, vol. 15, no. 1, 2021, pp. 1–30, doi:10.1145/3491235. short: J. Menzel, C. Plessl, T. Kenter, ACM Transactions on Reconfigurable Technology and Systems 15 (2021) 1–30. date_created: 2021-11-30T10:00:31Z date_updated: 2022-01-06T06:57:51Z department: - _id: '27' - _id: '518' doi: 10.1145/3491235 intvolume: ' 15' issue: '1' language: - iso: eng main_file_link: - open_access: '1' url: https://dl.acm.org/doi/10.1145/3491235 oa: '1' page: 1-30 publication: ACM Transactions on Reconfigurable Technology and Systems publication_identifier: issn: - 1936-7406 - 1936-7414 publication_status: published quality_controlled: '1' status: public title: The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations type: journal_article user_id: '3145' volume: 15 year: '2021' ... --- _id: '27365' author: - first_name: Marius full_name: Meyer, Marius id: '40778' last_name: Meyer citation: ama: 'Meyer M. Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks. In: Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies. ; 2021. doi:10.1145/3468044.3468058' apa: Meyer, M. (2021). Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks. Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies. https://doi.org/10.1145/3468044.3468058 bibtex: '@inproceedings{Meyer_2021, title={Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks}, DOI={10.1145/3468044.3468058}, booktitle={Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies}, author={Meyer, Marius}, year={2021} }' chicago: Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of HPC Using OpenCL Benchmarks.” In Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies, 2021. https://doi.org/10.1145/3468044.3468058. ieee: 'M. Meyer, “Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks,” 2021, doi: 10.1145/3468044.3468058.' mla: Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of HPC Using OpenCL Benchmarks.” Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies, 2021, doi:10.1145/3468044.3468058. short: 'M. Meyer, in: Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies, 2021.' date_created: 2021-11-10T14:42:17Z date_updated: 2022-01-06T06:57:38Z department: - _id: '27' doi: 10.1145/3468044.3468058 language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies publication_status: published status: public title: Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks type: conference user_id: '40778' year: '2021' ... --- _id: '20886' author: - first_name: Tobias full_name: Nickchen, Tobias last_name: Nickchen - first_name: Stefan full_name: Heindorf, Stefan last_name: Heindorf - first_name: Gregor full_name: Engels, Gregor last_name: Engels citation: ama: 'Nickchen T, Heindorf S, Engels G. Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts. In: Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision. ; 2021:1994-2002.' apa: Nickchen, T., Heindorf, S., & Engels, G. (2021). Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts. In Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision (pp. 1994–2002). Hawaii. bibtex: '@inproceedings{Nickchen_Heindorf_Engels_2021, title={Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts}, booktitle={Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision}, author={Nickchen, Tobias and Heindorf, Stefan and Engels, Gregor}, year={2021}, pages={1994–2002} }' chicago: Nickchen, Tobias, Stefan Heindorf, and Gregor Engels. “Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts.” In Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision, 1994–2002, 2021. ieee: T. Nickchen, S. Heindorf, and G. Engels, “Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts,” in Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision, Hawaii, 2021, pp. 1994–2002. mla: Nickchen, Tobias, et al. “Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts.” Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision, 2021, pp. 1994–2002. short: 'T. Nickchen, S. Heindorf, G. Engels, in: Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision, 2021, pp. 1994–2002.' conference: end_date: 2021-09-01 location: Hawaii name: IEEE/CVF Winter Conference on Applications of Computer Vision start_date: 2021-05-01 date_created: 2021-01-07T15:32:45Z date_updated: 2022-01-06T06:54:41Z department: - _id: '66' - _id: '534' - _id: '624' - _id: '219' - _id: '27' language: - iso: eng page: 1994-2002 publication: Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision publication_status: published status: public title: Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts type: conference user_id: '27340' year: '2021' ... --- _id: '32243' abstract: - lang: eng text: "Abstract\r\n The defining feature of active particles is that they constantly propel themselves by locally converting chemical energy into directed motion. This active self-propulsion prevents them from equilibrating with their thermal environment (e.g. an aqueous solution), thus keeping them permanently out of equilibrium. Nevertheless, the spatial dynamics of active particles might share certain equilibrium features, in particular in the steady state. We here focus on the time-reversal symmetry of individual spatial trajectories as a distinct equilibrium characteristic. We investigate to what extent the steady-state trajectories of a trapped active particle obey or break this time-reversal symmetry. Within the framework of active Ornstein–Uhlenbeck particles we find that the steady-state trajectories in a harmonic potential fulfill path-wise time-reversal symmetry exactly, while this symmetry is typically broken in anharmonic potentials." article_number: '033216' author: - first_name: Lennart full_name: Dabelow, Lennart last_name: Dabelow - first_name: Stefano full_name: Bo, Stefano last_name: Bo - first_name: Ralf full_name: Eichhorn, Ralf last_name: Eichhorn citation: ama: 'Dabelow L, Bo S, Eichhorn R. How irreversible are steady-state trajectories of a trapped active particle? Journal of Statistical Mechanics: Theory and Experiment. 2021;2021(3). doi:10.1088/1742-5468/abe6fd' apa: 'Dabelow, L., Bo, S., & Eichhorn, R. (2021). How irreversible are steady-state trajectories of a trapped active particle? Journal of Statistical Mechanics: Theory and Experiment, 2021(3), Article 033216. https://doi.org/10.1088/1742-5468/abe6fd' bibtex: '@article{Dabelow_Bo_Eichhorn_2021, title={How irreversible are steady-state trajectories of a trapped active particle?}, volume={2021}, DOI={10.1088/1742-5468/abe6fd}, number={3033216}, journal={Journal of Statistical Mechanics: Theory and Experiment}, publisher={IOP Publishing}, author={Dabelow, Lennart and Bo, Stefano and Eichhorn, Ralf}, year={2021} }' chicago: 'Dabelow, Lennart, Stefano Bo, and Ralf Eichhorn. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment 2021, no. 3 (2021). https://doi.org/10.1088/1742-5468/abe6fd.' ieee: 'L. Dabelow, S. Bo, and R. Eichhorn, “How irreversible are steady-state trajectories of a trapped active particle?,” Journal of Statistical Mechanics: Theory and Experiment, vol. 2021, no. 3, Art. no. 033216, 2021, doi: 10.1088/1742-5468/abe6fd.' mla: 'Dabelow, Lennart, et al. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment, vol. 2021, no. 3, 033216, IOP Publishing, 2021, doi:10.1088/1742-5468/abe6fd.' short: 'L. Dabelow, S. Bo, R. Eichhorn, Journal of Statistical Mechanics: Theory and Experiment 2021 (2021).' date_created: 2022-06-28T07:27:41Z date_updated: 2022-06-28T07:28:14Z department: - _id: '27' doi: 10.1088/1742-5468/abe6fd intvolume: ' 2021' issue: '3' keyword: - Statistics - Probability and Uncertainty - Statistics and Probability - Statistical and Nonlinear Physics language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: 'Journal of Statistical Mechanics: Theory and Experiment' publication_identifier: issn: - 1742-5468 publication_status: published publisher: IOP Publishing status: public title: How irreversible are steady-state trajectories of a trapped active particle? type: journal_article user_id: '15278' volume: 2021 year: '2021' ... --- _id: '32244' abstract: - lang: eng text: "We push the boundaries of electronic structure-based \\textit{ab-initio}\r\nmolecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise\r\nbarely reachable with classical force-field methods or novel neural network and\r\nmachine learning potentials. We achieve this breakthrough by combining\r\ninnovations in linear-scaling AIMD, efficient and approximate sparse linear\r\nalgebra, low and mixed-precision floating-point computation on GPUs, and a\r\ncompensation scheme for the errors introduced by numerical approximations. The\r\ncore of our work is the non-orthogonalized local submatrix method (NOLSM),\r\nwhich scales very favorably to massively parallel computing systems and\r\ntranslates large sparse matrix operations into highly parallel, dense matrix\r\noperations that are ideally suited to hardware accelerators. We demonstrate\r\nthat the NOLSM method, which is at the center point of each AIMD step, is able\r\nto achieve a sustained performance of 324 PFLOP/s in mixed FP16/FP32 precision\r\ncorresponding to an efficiency of 67.7% when running on 1536 NVIDIA A100 GPUs." author: - first_name: Robert full_name: Schade, Robert last_name: Schade - first_name: Tobias full_name: Kenter, Tobias last_name: Kenter - first_name: Hossam full_name: Elgabarty, Hossam last_name: Elgabarty - first_name: Michael full_name: Lass, Michael last_name: Lass - first_name: Ole full_name: Schütt, Ole last_name: Schütt - first_name: Alfio full_name: Lazzaro, Alfio last_name: Lazzaro - first_name: Hans full_name: Pabst, Hans last_name: Pabst - first_name: Stephan full_name: Mohr, Stephan last_name: Mohr - first_name: Jürg full_name: Hutter, Jürg last_name: Hutter - first_name: Thomas D. full_name: Kühne, Thomas D. last_name: Kühne - first_name: Christian full_name: Plessl, Christian last_name: Plessl citation: ama: Schade R, Kenter T, Elgabarty H, et al. Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms. arXiv:210408245. Published online 2021. apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst, H., Mohr, S., Hutter, J., Kühne, T. D., & Plessl, C. (2021). Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms. In arXiv:2104.08245. bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2021, title={Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms}, journal={arXiv:2104.08245}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas D. and et al.}, year={2021} }' chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245, 2021. ieee: R. Schade et al., “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms,” arXiv:2104.08245. 2021. mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245, 2021. short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T.D. Kühne, C. Plessl, ArXiv:2104.08245 (2021). date_created: 2022-06-28T07:48:31Z date_updated: 2022-06-28T07:49:31Z department: - _id: '27' external_id: arxiv: - '2104.08245' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: arXiv:2104.08245 status: public title: Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms type: preprint user_id: '15278' year: '2021' ... --- _id: '29937' author: - first_name: Martin full_name: Karp, Martin last_name: Karp - first_name: Artur full_name: Podobas, Artur last_name: Podobas - first_name: Niclas full_name: Jansson, Niclas last_name: Jansson - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Philipp full_name: Schlatter, Philipp last_name: Schlatter - first_name: Stefano full_name: Markidis, Stefano last_name: Markidis citation: ama: 'Karp M, Podobas A, Jansson N, et al. High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection. In: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). IEEE; 2021. doi:10.1109/ipdps49936.2021.00116' apa: 'Karp, M., Podobas, A., Jansson, N., Kenter, T., Plessl, C., Schlatter, P., & Markidis, S. (2021). High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection. 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). https://doi.org/10.1109/ipdps49936.2021.00116' bibtex: '@inproceedings{Karp_Podobas_Jansson_Kenter_Plessl_Schlatter_Markidis_2021, title={High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection}, DOI={10.1109/ipdps49936.2021.00116}, booktitle={2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS)}, publisher={IEEE}, author={Karp, Martin and Podobas, Artur and Jansson, Niclas and Kenter, Tobias and Plessl, Christian and Schlatter, Philipp and Markidis, Stefano}, year={2021} }' chicago: 'Karp, Martin, Artur Podobas, Niclas Jansson, Tobias Kenter, Christian Plessl, Philipp Schlatter, and Stefano Markidis. “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.” In 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). IEEE, 2021. https://doi.org/10.1109/ipdps49936.2021.00116.' ieee: 'M. Karp et al., “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection,” 2021, doi: 10.1109/ipdps49936.2021.00116.' mla: 'Karp, Martin, et al. “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), IEEE, 2021, doi:10.1109/ipdps49936.2021.00116.' short: 'M. Karp, A. Podobas, N. Jansson, T. Kenter, C. Plessl, P. Schlatter, S. Markidis, in: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), IEEE, 2021.' date_created: 2022-02-21T14:26:37Z date_updated: 2024-01-22T09:59:13Z department: - _id: '27' - _id: '518' doi: 10.1109/ipdps49936.2021.00116 language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS) publication_status: published publisher: IEEE quality_controlled: '1' status: public title: 'High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection' type: conference user_id: '3145' year: '2021' ... --- _id: '46194' author: - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Adesh full_name: Shambhu, Adesh last_name: Shambhu - first_name: Sara full_name: Faghih-Naini, Sara last_name: Faghih-Naini - first_name: Vadym full_name: Aizinger, Vadym last_name: Aizinger citation: ama: 'Kenter T, Shambhu A, Faghih-Naini S, Aizinger V. Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA. In: Proceedings of the Platform for Advanced Scientific Computing Conference (PASC). ACM; 2021. doi:10.1145/3468267.3470617' apa: Kenter, T., Shambhu, A., Faghih-Naini, S., & Aizinger, V. (2021). Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA. Proceedings of the Platform for Advanced Scientific Computing Conference (PASC). https://doi.org/10.1145/3468267.3470617 bibtex: '@inproceedings{Kenter_Shambhu_Faghih-Naini_Aizinger_2021, title={Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA}, DOI={10.1145/3468267.3470617}, booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)}, publisher={ACM}, author={Kenter, Tobias and Shambhu, Adesh and Faghih-Naini, Sara and Aizinger, Vadym}, year={2021} }' chicago: Kenter, Tobias, Adesh Shambhu, Sara Faghih-Naini, and Vadym Aizinger. “Algorithm-Hardware Co-Design of a Discontinuous Galerkin Shallow-Water Model for a Dataflow Architecture on FPGA.” In Proceedings of the Platform for Advanced Scientific Computing Conference (PASC). ACM, 2021. https://doi.org/10.1145/3468267.3470617. ieee: 'T. Kenter, A. Shambhu, S. Faghih-Naini, and V. Aizinger, “Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA,” 2021, doi: 10.1145/3468267.3470617.' mla: Kenter, Tobias, et al. “Algorithm-Hardware Co-Design of a Discontinuous Galerkin Shallow-Water Model for a Dataflow Architecture on FPGA.” Proceedings of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2021, doi:10.1145/3468267.3470617. short: 'T. Kenter, A. Shambhu, S. Faghih-Naini, V. Aizinger, in: Proceedings of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2021.' date_created: 2023-07-28T11:58:14Z date_updated: 2024-04-17T08:12:21Z department: - _id: '27' - _id: '518' doi: 10.1145/3468267.3470617 language: - iso: eng main_file_link: - url: https://dl.acm.org/doi/pdf/10.1145/3468267.3470617 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Proceedings of the Platform for Advanced Scientific Computing Conference (PASC) publication_status: published publisher: ACM quality_controlled: '1' related_material: link: - description: Open Access available via this link. relation: other url: ' https://www.sighpc.org/for-our-community/acm-open-tocs/pasc21-open-toc ' status: public title: Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA type: conference user_id: '3145' year: '2021' ... --- _id: '32236' abstract: - lang: eng text: "The interaction between quantum light and matter is being intensively studied\r\nfor systems that are enclosed in high-$Q$ cavities which strongly enhance the\r\nlight-matter coupling. However, for many applications, cavities with lower\r\n$Q$-factors are preferred due to the increased spectral width of the cavity\r\nmode. Here, we investigate the interaction between quantum light and matter\r\nrepresented by a $\\Lambda$-type three-level system in lossy cavities, assuming\r\nthat cavity losses are the dominant loss mechanism. We demonstrate that cavity\r\nlosses lead to non-trivial steady states of the electronic occupations that can\r\nbe controlled by the loss rate and the initial statistics of the quantum\r\nfields. The mechanism of formation of such steady states can be understood on\r\nthe basis of the equations of motion. Analytical expressions for steady states\r\nand their numerical simulations are presented and discussed." author: - first_name: H. full_name: Rose, H. last_name: Rose - first_name: O. V. full_name: Tikhonova, O. V. last_name: Tikhonova - first_name: T. full_name: Meier, T. last_name: Meier - first_name: 'P. ' full_name: 'Sharapova, P. ' last_name: Sharapova citation: ama: Rose H, Tikhonova OV, Meier T, Sharapova P. Steady states of $Λ$-type three-level systems excited by quantum  light in lossy cavities. arXiv:210900842. Published online 2021. apa: Rose, H., Tikhonova, O. V., Meier, T., & Sharapova, P. (2021). Steady states of $Λ$-type three-level systems excited by quantum  light in lossy cavities. In arXiv:2109.00842. bibtex: '@article{Rose_Tikhonova_Meier_Sharapova_2021, title={Steady states of $Λ$-type three-level systems excited by quantum  light in lossy cavities}, journal={arXiv:2109.00842}, author={Rose, H. and Tikhonova, O. V. and Meier, T. and Sharapova, P. }, year={2021} }' chicago: Rose, H., O. V. Tikhonova, T. Meier, and P. Sharapova. “Steady States of $Λ$-Type Three-Level Systems Excited by Quantum  Light in Lossy Cavities.” ArXiv:2109.00842, 2021. ieee: H. Rose, O. V. Tikhonova, T. Meier, and P. Sharapova, “Steady states of $Λ$-type three-level systems excited by quantum  light in lossy cavities,” arXiv:2109.00842. 2021. mla: Rose, H., et al. “Steady States of $Λ$-Type Three-Level Systems Excited by Quantum  Light in Lossy Cavities.” ArXiv:2109.00842, 2021. short: H. Rose, O.V. Tikhonova, T. Meier, P. Sharapova, ArXiv:2109.00842 (2021). date_created: 2022-06-28T07:03:29Z date_updated: 2023-02-10T16:00:12Z department: - _id: '27' external_id: arxiv: - '2109.00842' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: arXiv:2109.00842 status: public title: Steady states of $Λ$-type three-level systems excited by quantum light in lossy cavities type: preprint user_id: '14931' year: '2021' ... --- _id: '46122' article_number: '094518' author: - first_name: Olaf full_name: Kaczmarek, Olaf last_name: Kaczmarek - first_name: Lukas full_name: Mazur, Lukas id: '90492' last_name: Mazur orcid: ' 0000-0001-6304-7082' - first_name: Sayantan full_name: Sharma, Sayantan last_name: Sharma citation: ama: Kaczmarek O, Mazur L, Sharma S. Eigenvalue spectra of QCD and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math> breaking towards the chiral limit. Physical Review D. 2021;104(9). doi:10.1103/physrevd.104.094518 apa: Kaczmarek, O., Mazur, L., & Sharma, S. (2021). Eigenvalue spectra of QCD and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math> breaking towards the chiral limit. Physical Review D, 104(9), Article 094518. https://doi.org/10.1103/physrevd.104.094518 bibtex: '@article{Kaczmarek_Mazur_Sharma_2021, title={Eigenvalue spectra of QCD and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math> breaking towards the chiral limit}, volume={104}, DOI={10.1103/physrevd.104.094518}, number={9094518}, journal={Physical Review D}, publisher={American Physical Society (APS)}, author={Kaczmarek, Olaf and Mazur, Lukas and Sharma, Sayantan}, year={2021} }' chicago: Kaczmarek, Olaf, Lukas Mazur, and Sayantan Sharma. “Eigenvalue Spectra of QCD and the Fate of <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the Chiral Limit.” Physical Review D 104, no. 9 (2021). https://doi.org/10.1103/physrevd.104.094518. ieee: 'O. Kaczmarek, L. Mazur, and S. Sharma, “Eigenvalue spectra of QCD and the fate of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math> breaking towards the chiral limit,” Physical Review D, vol. 104, no. 9, Art. no. 094518, 2021, doi: 10.1103/physrevd.104.094518.' mla: Kaczmarek, Olaf, et al. “Eigenvalue Spectra of QCD and the Fate of <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the Chiral Limit.” Physical Review D, vol. 104, no. 9, 094518, American Physical Society (APS), 2021, doi:10.1103/physrevd.104.094518. short: O. Kaczmarek, L. Mazur, S. Sharma, Physical Review D 104 (2021). date_created: 2023-07-24T11:03:06Z date_updated: 2023-07-26T09:23:02Z department: - _id: '27' doi: 10.1103/physrevd.104.094518 extern: '1' intvolume: ' 104' issue: '9' language: - iso: eng publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: American Physical Society (APS) quality_controlled: '1' status: public title: Eigenvalue spectra of QCD and the fate of UA(1) breaking towards the chiral limit type: journal_article user_id: '90492' volume: 104 year: '2021' ... --- _id: '46124' article_number: '014511' author: - first_name: Luis full_name: Altenkort, Luis last_name: Altenkort - first_name: Alexander M. full_name: Eller, Alexander M. last_name: Eller - first_name: O. full_name: Kaczmarek, O. last_name: Kaczmarek - first_name: Lukas full_name: Mazur, Lukas id: '90492' last_name: Mazur orcid: ' 0000-0001-6304-7082' - first_name: Guy D. full_name: Moore, Guy D. last_name: Moore - first_name: H.-T. full_name: Shu, H.-T. last_name: Shu citation: ama: Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Heavy quark momentum diffusion from the lattice using gradient flow. Physical Review D. 2021;103(1). doi:10.1103/physrevd.103.014511 apa: Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., & Shu, H.-T. (2021). Heavy quark momentum diffusion from the lattice using gradient flow. Physical Review D, 103(1), Article 014511. https://doi.org/10.1103/physrevd.103.014511 bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Heavy quark momentum diffusion from the lattice using gradient flow}, volume={103}, DOI={10.1103/physrevd.103.014511}, number={1014511}, journal={Physical Review D}, publisher={American Physical Society (APS)}, author={Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and Mazur, Lukas and Moore, Guy D. and Shu, H.-T.}, year={2021} }' chicago: Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D. Moore, and H.-T. Shu. “Heavy Quark Momentum Diffusion from the Lattice Using Gradient Flow.” Physical Review D 103, no. 1 (2021). https://doi.org/10.1103/physrevd.103.014511. ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T. Shu, “Heavy quark momentum diffusion from the lattice using gradient flow,” Physical Review D, vol. 103, no. 1, Art. no. 014511, 2021, doi: 10.1103/physrevd.103.014511.' mla: Altenkort, Luis, et al. “Heavy Quark Momentum Diffusion from the Lattice Using Gradient Flow.” Physical Review D, vol. 103, no. 1, 014511, American Physical Society (APS), 2021, doi:10.1103/physrevd.103.014511. short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 103 (2021). date_created: 2023-07-24T11:05:25Z date_updated: 2023-07-26T09:22:09Z department: - _id: '27' doi: 10.1103/physrevd.103.014511 extern: '1' intvolume: ' 103' issue: '1' language: - iso: eng publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: American Physical Society (APS) quality_controlled: '1' status: public title: Heavy quark momentum diffusion from the lattice using gradient flow type: journal_article user_id: '90492' volume: 103 year: '2021' ... --- _id: '46123' article_number: '114513' author: - first_name: Luis full_name: Altenkort, Luis last_name: Altenkort - first_name: Alexander M. full_name: Eller, Alexander M. last_name: Eller - first_name: O. full_name: Kaczmarek, O. last_name: Kaczmarek - first_name: Lukas full_name: Mazur, Lukas id: '90492' last_name: Mazur orcid: ' 0000-0001-6304-7082' - first_name: Guy D. full_name: Moore, Guy D. last_name: Moore - first_name: H.-T. full_name: Shu, H.-T. last_name: Shu citation: ama: 'Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Sphaleron rate from Euclidean lattice correlators: An exploration. Physical Review D. 2021;103(11). doi:10.1103/physrevd.103.114513' apa: 'Altenkort, L., Eller, A. M., Kaczmarek, O., Mazur, L., Moore, G. D., & Shu, H.-T. (2021). Sphaleron rate from Euclidean lattice correlators: An exploration. Physical Review D, 103(11), Article 114513. https://doi.org/10.1103/physrevd.103.114513' bibtex: '@article{Altenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title={Sphaleron rate from Euclidean lattice correlators: An exploration}, volume={103}, DOI={10.1103/physrevd.103.114513}, 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} }' 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.” Physical Review D 103, no. 11 (2021). https://doi.org/10.1103/physrevd.103.114513.' ieee: 'L. Altenkort, A. M. Eller, O. Kaczmarek, L. Mazur, G. D. Moore, and H.-T. Shu, “Sphaleron rate from Euclidean lattice correlators: An exploration,” Physical Review D, vol. 103, no. 11, Art. no. 114513, 2021, doi: 10.1103/physrevd.103.114513.' mla: 'Altenkort, Luis, et al. “Sphaleron Rate from Euclidean Lattice Correlators: An Exploration.” Physical Review D, vol. 103, no. 11, 114513, American Physical Society (APS), 2021, doi:10.1103/physrevd.103.114513.' short: L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 103 (2021). date_created: 2023-07-24T11:04:17Z date_updated: 2023-07-26T09:22:46Z department: - _id: '27' doi: 10.1103/physrevd.103.114513 extern: '1' intvolume: ' 103' issue: '11' language: - iso: eng publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: American Physical Society (APS) quality_controlled: '1' status: public title: 'Sphaleron rate from Euclidean lattice correlators: An exploration' type: journal_article user_id: '90492' volume: 103 year: '2021' ... --- _id: '46195' author: - first_name: Martin full_name: Karp, Martin last_name: Karp - first_name: Artur full_name: Podobas, Artur last_name: Podobas - first_name: Niclas full_name: Jansson, Niclas last_name: Jansson - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Philipp full_name: Schlatter, Philipp last_name: Schlatter - first_name: Stefano full_name: Markidis, Stefano last_name: Markidis citation: ama: 'Karp M, Podobas A, Jansson N, et al. High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection. In: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). IEEE; 2021. doi:10.1109/ipdps49936.2021.00116' apa: 'Karp, M., Podobas, A., Jansson, N., Kenter, T., Plessl, C., Schlatter, P., & Markidis, S. (2021). High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection. 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). https://doi.org/10.1109/ipdps49936.2021.00116' bibtex: '@inproceedings{Karp_Podobas_Jansson_Kenter_Plessl_Schlatter_Markidis_2021, title={High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection}, DOI={10.1109/ipdps49936.2021.00116}, booktitle={2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS)}, publisher={IEEE}, author={Karp, Martin and Podobas, Artur and Jansson, Niclas and Kenter, Tobias and Plessl, Christian and Schlatter, Philipp and Markidis, Stefano}, year={2021} }' chicago: 'Karp, Martin, Artur Podobas, Niclas Jansson, Tobias Kenter, Christian Plessl, Philipp Schlatter, and Stefano Markidis. “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.” In 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). IEEE, 2021. https://doi.org/10.1109/ipdps49936.2021.00116.' ieee: 'M. Karp et al., “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection,” 2021, doi: 10.1109/ipdps49936.2021.00116.' mla: 'Karp, Martin, et al. “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.” 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), IEEE, 2021, doi:10.1109/ipdps49936.2021.00116.' short: 'M. Karp, A. Podobas, N. Jansson, T. Kenter, C. Plessl, P. Schlatter, S. Markidis, in: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), IEEE, 2021.' date_created: 2023-07-28T12:04:27Z date_updated: 2023-07-28T12:05:15Z department: - _id: '27' - _id: '518' doi: 10.1109/ipdps49936.2021.00116 language: - iso: eng publication: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS) publication_status: published publisher: IEEE quality_controlled: '1' status: public title: 'High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection' type: conference user_id: '3145' year: '2021' ... --- _id: '21587' abstract: - lang: eng text: Solving partial differential equations on unstructured grids is a cornerstone of engineering and scientific computing. Nowadays, heterogeneous parallel platforms with CPUs, GPUs, and FPGAs enable energy-efficient and computationally demanding simulations. We developed the HighPerMeshes C++-embedded Domain-Specific Language (DSL) for bridging the abstraction gap between the mathematical and algorithmic formulation of mesh-based algorithms for PDE problems on the one hand and an increasing number of heterogeneous platforms with their different parallel programming and runtime models on the other hand. Thus, the HighPerMeshes DSL aims at higher productivity in the code development process for multiple target platforms. We introduce the concepts as well as the basic structure of the HighPerMeshes DSL, and demonstrate its usage with three examples, a Poisson and monodomain problem, respectively, solved by the continuous finite element method, and the discontinuous Galerkin method for Maxwell’s equation. The mapping of the abstract algorithmic description onto parallel hardware, including distributed memory compute clusters, is presented. Finally, the achievable performance and scalability are demonstrated for a typical example problem on a multi-core CPU cluster. author: - first_name: Samer full_name: Alhaddad, Samer id: '42456' last_name: Alhaddad - first_name: Jens full_name: Förstner, Jens id: '158' last_name: Förstner orcid: 0000-0001-7059-9862 - first_name: Stefan full_name: Groth, Stefan last_name: Groth - first_name: Daniel full_name: Grünewald, Daniel last_name: Grünewald - first_name: Yevgen full_name: Grynko, Yevgen id: '26059' last_name: Grynko - first_name: Frank full_name: Hannig, Frank last_name: Hannig - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Franz-Josef full_name: Pfreundt, Franz-Josef last_name: Pfreundt - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Merlind full_name: Schotte, Merlind last_name: Schotte - first_name: Thomas full_name: Steinke, Thomas last_name: Steinke - first_name: Jürgen full_name: Teich, Jürgen last_name: Teich - first_name: Martin full_name: Weiser, Martin last_name: Weiser - first_name: Florian full_name: Wende, Florian last_name: Wende citation: ama: 'Alhaddad S, Förstner J, Groth S, et al. HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids. In: Euro-Par 2020: Parallel Processing Workshops. ; 2021. doi:10.1007/978-3-030-71593-9_15' apa: 'Alhaddad, S., Förstner, J., Groth, S., Grünewald, D., Grynko, Y., Hannig, F., Kenter, T., Pfreundt, F.-J., Plessl, C., Schotte, M., Steinke, T., Teich, J., Weiser, M., & Wende, F. (2021). HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids. In Euro-Par 2020: Parallel Processing Workshops. https://doi.org/10.1007/978-3-030-71593-9_15' bibtex: '@inbook{Alhaddad_Förstner_Groth_Grünewald_Grynko_Hannig_Kenter_Pfreundt_Plessl_Schotte_et al._2021, place={Cham}, title={HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids}, DOI={10.1007/978-3-030-71593-9_15}, booktitle={Euro-Par 2020: Parallel Processing Workshops}, author={Alhaddad, Samer and Förstner, Jens and Groth, Stefan and Grünewald, Daniel and Grynko, Yevgen and Hannig, Frank and Kenter, Tobias and Pfreundt, Franz-Josef and Plessl, Christian and Schotte, Merlind and et al.}, year={2021} }' chicago: 'Alhaddad, Samer, Jens Förstner, Stefan Groth, Daniel Grünewald, Yevgen Grynko, Frank Hannig, Tobias Kenter, et al. “HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids.” In Euro-Par 2020: Parallel Processing Workshops. Cham, 2021. https://doi.org/10.1007/978-3-030-71593-9_15.' ieee: 'S. Alhaddad et al., “HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids,” in Euro-Par 2020: Parallel Processing Workshops, Cham, 2021.' mla: 'Alhaddad, Samer, et al. “HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids.” Euro-Par 2020: Parallel Processing Workshops, 2021, doi:10.1007/978-3-030-71593-9_15.' short: 'S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig, T. Kenter, F.-J. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser, F. Wende, in: Euro-Par 2020: Parallel Processing Workshops, Cham, 2021.' date_created: 2021-03-31T19:39:42Z date_updated: 2023-09-26T11:40:25Z ddc: - '004' department: - _id: '61' - _id: '230' - _id: '429' - _id: '27' - _id: '518' doi: 10.1007/978-3-030-71593-9_15 file: - access_level: closed content_type: application/pdf creator: fossie date_created: 2021-03-31T19:42:52Z date_updated: 2021-03-31T19:42:52Z file_id: '21588' file_name: 2021-03 Alhaddad2021_Chapter_HighPerMeshesADomain-SpecificL.pdf file_size: 564398 relation: main_file success: 1 file_date_updated: 2021-03-31T19:42:52Z has_accepted_license: '1' keyword: - tet_topic_hpc language: - iso: eng place: Cham project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: 'Euro-Par 2020: Parallel Processing Workshops' publication_identifier: isbn: - '9783030715922' - '9783030715939' issn: - 0302-9743 - 1611-3349 publication_status: published quality_controlled: '1' status: public title: HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids type: book_chapter user_id: '15278' year: '2021' ... --- _id: '29936' author: - first_name: Arjun full_name: Ramaswami, Arjun id: '49171' last_name: Ramaswami orcid: https://orcid.org/0000-0002-0909-1178 - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: 'Ramaswami A, Kenter T, Kühne T, Plessl C. Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing. In: Applied Reconfigurable Computing. Architectures, Tools, and Applications. Springer International Publishing; 2021. doi:10.1007/978-3-030-79025-7_21' apa: Ramaswami, A., Kenter, T., Kühne, T., & Plessl, C. (2021). Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing. In Applied Reconfigurable Computing. Architectures, Tools, and Applications. Int. Conf. on Applied Reconfigurable Computing. Architectures, Tools, and Applications. Springer International Publishing. https://doi.org/10.1007/978-3-030-79025-7_21 bibtex: '@inbook{Ramaswami_Kenter_Kühne_Plessl_2021, place={Cham}, title={Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing}, DOI={10.1007/978-3-030-79025-7_21}, booktitle={Applied Reconfigurable Computing. Architectures, Tools, and Applications}, publisher={Springer International Publishing}, author={Ramaswami, Arjun and Kenter, Tobias and Kühne, Thomas and Plessl, Christian}, year={2021} }' chicago: 'Ramaswami, Arjun, Tobias Kenter, Thomas Kühne, and Christian Plessl. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.” In Applied Reconfigurable Computing. Architectures, Tools, and Applications. Cham: Springer International Publishing, 2021. https://doi.org/10.1007/978-3-030-79025-7_21.' ieee: 'A. Ramaswami, T. Kenter, T. Kühne, and C. Plessl, “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing,” in Applied Reconfigurable Computing. Architectures, Tools, and Applications, Cham: Springer International Publishing, 2021.' mla: Ramaswami, Arjun, et al. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.” Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, 2021, doi:10.1007/978-3-030-79025-7_21. short: 'A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, Cham, 2021.' conference: name: Int. Conf. on Applied Reconfigurable Computing. Architectures, Tools, and Applications date_created: 2022-02-21T14:22:01Z date_updated: 2023-09-26T11:40:45Z department: - _id: '27' - _id: '518' - _id: '304' doi: 10.1007/978-3-030-79025-7_21 language: - iso: eng place: Cham publication: Applied Reconfigurable Computing. Architectures, Tools, and Applications publication_identifier: isbn: - '9783030790240' - '9783030790257' issn: - 0302-9743 - 1611-3349 publication_status: published publisher: Springer International Publishing quality_controlled: '1' status: public title: Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing type: book_chapter user_id: '15278' year: '2021' ... --- _id: '24788' author: - first_name: Samer full_name: Alhaddad, Samer id: '42456' last_name: Alhaddad - first_name: Jens full_name: Förstner, Jens id: '158' last_name: Förstner orcid: 0000-0001-7059-9862 - first_name: Stefan full_name: Groth, Stefan last_name: Groth - first_name: Daniel full_name: Grünewald, Daniel last_name: Grünewald - first_name: Yevgen full_name: Grynko, Yevgen id: '26059' last_name: Grynko - first_name: Frank full_name: Hannig, Frank last_name: Hannig - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Franz‐Josef full_name: Pfreundt, Franz‐Josef last_name: Pfreundt - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Merlind full_name: Schotte, Merlind last_name: Schotte - first_name: Thomas full_name: Steinke, Thomas last_name: Steinke - first_name: Jürgen full_name: Teich, Jürgen last_name: Teich - first_name: Martin full_name: Weiser, Martin last_name: Weiser - first_name: Florian full_name: Wende, Florian last_name: Wende citation: ama: 'Alhaddad S, Förstner J, Groth S, et al. The HighPerMeshes framework for numerical algorithms on unstructured grids. Concurrency and Computation: Practice and Experience. Published online 2021:e6616. doi:10.1002/cpe.6616' apa: 'Alhaddad, S., Förstner, J., Groth, S., Grünewald, D., Grynko, Y., Hannig, F., Kenter, T., Pfreundt, F., Plessl, C., Schotte, M., Steinke, T., Teich, J., Weiser, M., & Wende, F. (2021). The HighPerMeshes framework for numerical algorithms on unstructured grids. Concurrency and Computation: Practice and Experience, e6616. https://doi.org/10.1002/cpe.6616' bibtex: '@article{Alhaddad_Förstner_Groth_Grünewald_Grynko_Hannig_Kenter_Pfreundt_Plessl_Schotte_et al._2021, title={The HighPerMeshes framework for numerical algorithms on unstructured grids}, DOI={10.1002/cpe.6616}, journal={Concurrency and Computation: Practice and Experience}, author={Alhaddad, Samer and Förstner, Jens and Groth, Stefan and Grünewald, Daniel and Grynko, Yevgen and Hannig, Frank and Kenter, Tobias and Pfreundt, Franz‐Josef and Plessl, Christian and Schotte, Merlind and et al.}, year={2021}, pages={e6616} }' chicago: 'Alhaddad, Samer, Jens Förstner, Stefan Groth, Daniel Grünewald, Yevgen Grynko, Frank Hannig, Tobias Kenter, et al. “The HighPerMeshes Framework for Numerical Algorithms on Unstructured Grids.” Concurrency and Computation: Practice and Experience, 2021, e6616. https://doi.org/10.1002/cpe.6616.' ieee: 'S. Alhaddad et al., “The HighPerMeshes framework for numerical algorithms on unstructured grids,” Concurrency and Computation: Practice and Experience, p. e6616, 2021, doi: 10.1002/cpe.6616.' mla: 'Alhaddad, Samer, et al. “The HighPerMeshes Framework for Numerical Algorithms on Unstructured Grids.” Concurrency and Computation: Practice and Experience, 2021, p. e6616, doi:10.1002/cpe.6616.' short: 'S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig, T. Kenter, F. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser, F. Wende, Concurrency and Computation: Practice and Experience (2021) e6616.' date_created: 2021-09-22T06:15:50Z date_updated: 2023-09-26T11:42:19Z ddc: - '004' department: - _id: '61' - _id: '230' - _id: '27' - _id: '518' doi: 10.1002/cpe.6616 file: - access_level: open_access content_type: application/pdf creator: fossie date_created: 2021-09-22T06:19:29Z date_updated: 2021-09-22T06:19:29Z file_id: '24789' file_name: 2021-09 Alhaddad - Concurrency... - The HighPerMeshes framework for numerical algorithms on unstructured grids.pdf file_size: 2300152 relation: main_file file_date_updated: 2021-09-22T06:19:29Z has_accepted_license: '1' keyword: - tet_topic_hpc language: - iso: eng oa: '1' page: e6616 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '33' grant_number: 01|H16005A name: HighPerMeshes publication: 'Concurrency and Computation: Practice and Experience' publication_identifier: issn: - 1532-0626 - 1532-0634 publication_status: published quality_controlled: '1' status: public title: The HighPerMeshes framework for numerical algorithms on unstructured grids type: journal_article user_id: '15278' year: '2021' ... --- _id: '32240' abstract: - lang: eng text:

The effect of traces of ethanol in supercritical carbon dioxide on the mixture's thermodynamic properties is studied by molecular simulations and Taylor dispersion measurements.

author: - first_name: René Spencer full_name: Chatwell, René Spencer last_name: Chatwell - first_name: Gabriela full_name: Guevara-Carrion, Gabriela last_name: Guevara-Carrion - first_name: Yuri full_name: Gaponenko, Yuri last_name: Gaponenko - first_name: Valentina full_name: Shevtsova, Valentina last_name: Shevtsova - first_name: Jadran full_name: Vrabec, Jadran last_name: Vrabec citation: ama: Chatwell RS, Guevara-Carrion G, Gaponenko Y, Shevtsova V, Vrabec J. Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics. 2021;23(4):3106-3115. doi:10.1039/d0cp04985a apa: Chatwell, R. S., Guevara-Carrion, G., Gaponenko, Y., Shevtsova, V., & Vrabec, J. (2021). Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics, 23(4), 3106–3115. https://doi.org/10.1039/d0cp04985a bibtex: '@article{Chatwell_Guevara-Carrion_Gaponenko_Shevtsova_Vrabec_2021, title={Diffusion of the carbon dioxide–ethanol mixture in the extended critical region}, volume={23}, DOI={10.1039/d0cp04985a}, number={4}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Chatwell, René Spencer and Guevara-Carrion, Gabriela and Gaponenko, Yuri and Shevtsova, Valentina and Vrabec, Jadran}, year={2021}, pages={3106–3115} }' chicago: 'Chatwell, René Spencer, Gabriela Guevara-Carrion, Yuri Gaponenko, Valentina Shevtsova, and Jadran Vrabec. “Diffusion of the Carbon Dioxide–Ethanol Mixture in the Extended Critical Region.” Physical Chemistry Chemical Physics 23, no. 4 (2021): 3106–15. https://doi.org/10.1039/d0cp04985a.' ieee: 'R. S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, and J. Vrabec, “Diffusion of the carbon dioxide–ethanol mixture in the extended critical region,” Physical Chemistry Chemical Physics, vol. 23, no. 4, pp. 3106–3115, 2021, doi: 10.1039/d0cp04985a.' mla: Chatwell, René Spencer, et al. “Diffusion of the Carbon Dioxide–Ethanol Mixture in the Extended Critical Region.” Physical Chemistry Chemical Physics, vol. 23, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 3106–15, doi:10.1039/d0cp04985a. short: R.S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, J. Vrabec, Physical Chemistry Chemical Physics 23 (2021) 3106–3115. date_created: 2022-06-28T07:23:22Z date_updated: 2023-09-27T10:24:39Z department: - _id: '27' doi: 10.1039/d0cp04985a intvolume: ' 23' issue: '4' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng page: 3106-3115 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) quality_controlled: '1' status: public title: Diffusion of the carbon dioxide–ethanol mixture in the extended critical region type: journal_article user_id: '15278' volume: 23 year: '2021' ...