--- _id: '61259' author: - first_name: Fabian full_name: Bauch, Fabian last_name: Bauch - first_name: Chuan-Ding full_name: Dong, Chuan-Ding last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bauch F, Dong C-D, Schumacher S. Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. The Journal of Physical Chemistry C. 2024;128(8):3525-3532. doi:10.1021/acs.jpcc.3c07513 apa: Bauch, F., Dong, C.-D., & Schumacher, S. (2024). Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. The Journal of Physical Chemistry C, 128(8), 3525–3532. https://doi.org/10.1021/acs.jpcc.3c07513 bibtex: '@article{Bauch_Dong_Schumacher_2024, title={Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers}, volume={128}, DOI={10.1021/acs.jpcc.3c07513}, number={8}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}, year={2024}, pages={3525–3532} }' chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal of Physical Chemistry C 128, no. 8 (2024): 3525–32. https://doi.org/10.1021/acs.jpcc.3c07513.' ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers,” The Journal of Physical Chemistry C, vol. 128, no. 8, pp. 3525–3532, 2024, doi: 10.1021/acs.jpcc.3c07513.' mla: Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal of Physical Chemistry C, vol. 128, no. 8, American Chemical Society (ACS), 2024, pp. 3525–32, doi:10.1021/acs.jpcc.3c07513. short: F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 128 (2024) 3525–3532. date_created: 2025-09-12T11:26:49Z date_updated: 2025-09-12T11:27:57Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '35' - _id: '230' - _id: '27' doi: 10.1021/acs.jpcc.3c07513 intvolume: ' 128' issue: '8' language: - iso: eng page: 3525-3532 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published publisher: American Chemical Society (ACS) status: public title: Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers type: journal_article user_id: '16199' volume: 128 year: '2024' ... --- _id: '61263' abstract: - lang: eng text: Charge transfer mechanism in the deprotonation-induced n-type doping of PCBM. author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding last_name: Dong - first_name: Fabian full_name: Bauch, Fabian id: '61389' last_name: Bauch orcid: 0009-0008-6279-077X - first_name: Yuanyuan full_name: Hu, Yuanyuan last_name: Hu - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Bauch F, Hu Y, Schumacher S. Charge transfer in superbase n-type doping of PCBM induced by deprotonation. Physical Chemistry Chemical Physics. 2024;26(5):4194-4199. doi:10.1039/d3cp05105f apa: Dong, C.-D., Bauch, F., Hu, Y., & Schumacher, S. (2024). Charge transfer in superbase n-type doping of PCBM induced by deprotonation. Physical Chemistry Chemical Physics, 26(5), 4194–4199. https://doi.org/10.1039/d3cp05105f bibtex: '@article{Dong_Bauch_Hu_Schumacher_2024, title={Charge transfer in superbase n-type doping of PCBM induced by deprotonation}, volume={26}, DOI={10.1039/d3cp05105f}, number={5}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Bauch, Fabian and Hu, Yuanyuan and Schumacher, Stefan}, year={2024}, pages={4194–4199} }' chicago: 'Dong, Chuan-Ding, Fabian Bauch, Yuanyuan Hu, and Stefan Schumacher. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” Physical Chemistry Chemical Physics 26, no. 5 (2024): 4194–99. https://doi.org/10.1039/d3cp05105f.' ieee: 'C.-D. Dong, F. Bauch, Y. Hu, and S. Schumacher, “Charge transfer in superbase n-type doping of PCBM induced by deprotonation,” Physical Chemistry Chemical Physics, vol. 26, no. 5, pp. 4194–4199, 2024, doi: 10.1039/d3cp05105f.' mla: Dong, Chuan-Ding, et al. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” Physical Chemistry Chemical Physics, vol. 26, no. 5, Royal Society of Chemistry (RSC), 2024, pp. 4194–99, doi:10.1039/d3cp05105f. short: C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics 26 (2024) 4194–4199. date_created: 2025-09-12T11:29:33Z date_updated: 2025-09-12T11:30:40Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '27' doi: 10.1039/d3cp05105f intvolume: ' 26' issue: '5' language: - iso: eng page: 4194-4199 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Charge transfer in superbase n-type doping of PCBM induced by deprotonation type: journal_article user_id: '16199' volume: 26 year: '2024' ... --- _id: '61357' author: - first_name: Marvin full_name: Krenz, Marvin last_name: Krenz - first_name: Simone full_name: Sanna, Simone last_name: Sanna - 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 citation: ama: Krenz M, Sanna S, Gerstmann U, Schmidt WG. Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. The Journal of Physical Chemistry C. 2024;128(41):17774-17778. doi:10.1021/acs.jpcc.4c05446 apa: Krenz, M., Sanna, S., Gerstmann, U., & Schmidt, W. G. (2024). Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. The Journal of Physical Chemistry C, 128(41), 17774–17778. https://doi.org/10.1021/acs.jpcc.4c05446 bibtex: '@article{Krenz_Sanna_Gerstmann_Schmidt_2024, title={Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells}, volume={128}, DOI={10.1021/acs.jpcc.4c05446}, number={41}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Krenz, Marvin and Sanna, Simone and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2024}, pages={17774–17778} }' chicago: 'Krenz, Marvin, Simone Sanna, Uwe Gerstmann, and Wolf Gero Schmidt. “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” The Journal of Physical Chemistry C 128, no. 41 (2024): 17774–78. https://doi.org/10.1021/acs.jpcc.4c05446.' ieee: 'M. Krenz, S. Sanna, U. Gerstmann, and W. G. Schmidt, “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells,” The Journal of Physical Chemistry C, vol. 128, no. 41, pp. 17774–17778, 2024, doi: 10.1021/acs.jpcc.4c05446.' mla: Krenz, Marvin, et al. “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” The Journal of Physical Chemistry C, vol. 128, no. 41, American Chemical Society (ACS), 2024, pp. 17774–78, doi:10.1021/acs.jpcc.4c05446. short: M. Krenz, S. Sanna, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry C 128 (2024) 17774–17778. date_created: 2025-09-18T11:32:33Z date_updated: 2025-09-18T11:34:21Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '230' - _id: '429' - _id: '35' - _id: '27' doi: 10.1021/acs.jpcc.4c05446 intvolume: ' 128' issue: '41' language: - iso: eng page: 17774-17778 project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: TRR 142 - Project Area A - _id: '55' name: TRR 142 - Project Area B - _id: '166' name: TRR 142 - Subproject A11 - _id: '168' name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*) - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published publisher: American Chemical Society (ACS) status: public title: Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells type: journal_article user_id: '16199' volume: 128 year: '2024' ... --- _id: '62067' abstract: - lang: eng text: Most FPGA boards in the HPC domain are well-suited for parallel scaling because of the direct integration of versatile and high-throughput network ports. However, the utilization of their network capabilities is often challenging and error-prone because the whole network stack and communication patterns have to be implemented and managed on the FPGAs. Also, this approach conceptually involves a trade-off between the performance potential of improved communication and the impact of resource consumption for communication infrastructure, since the utilized resources on the FPGAs could otherwise be used for computations. In this work, we investigate this trade-off, firstly, by using synthetic benchmarks to evaluate the different configuration options of the communication framework ACCL and their impact on communication latency and throughput. Finally, we use our findings to implement a shallow water simulation whose scalability heavily depends on low-latency communication. With a suitable configuration of ACCL, good scaling behavior can be shown to all 48 FPGAs installed in the system. Overall, the results show that the availability of inter-FPGA communication frameworks as well as the configurability of framework and network stack are crucial to achieve the best application performance with low latency communication. 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: Lucian full_name: Petrica, Lucian last_name: Petrica - first_name: Kenneth full_name: O’Brien, Kenneth last_name: O’Brien - first_name: Michaela full_name: Blott, Michaela last_name: Blott - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: 'Meyer M, Kenter T, Petrica L, O’Brien K, Blott M, Plessl C. Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL. In: Lecture Notes in Computer Science. Springer Nature Switzerland; 2024. doi:10.1007/978-3-031-69766-1_9' apa: Meyer, M., Kenter, T., Petrica, L., O’Brien, K., Blott, M., & Plessl, C. (2024). Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL. In Lecture Notes in Computer Science. Springer Nature Switzerland. https://doi.org/10.1007/978-3-031-69766-1_9 bibtex: '@inbook{Meyer_Kenter_Petrica_O’Brien_Blott_Plessl_2024, place={Cham}, title={Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL}, DOI={10.1007/978-3-031-69766-1_9}, booktitle={Lecture Notes in Computer Science}, publisher={Springer Nature Switzerland}, author={Meyer, Marius and Kenter, Tobias and Petrica, Lucian and O’Brien, Kenneth and Blott, Michaela and Plessl, Christian}, year={2024} }' chicago: 'Meyer, Marius, Tobias Kenter, Lucian Petrica, Kenneth O’Brien, Michaela Blott, and Christian Plessl. “Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL.” In Lecture Notes in Computer Science. Cham: Springer Nature Switzerland, 2024. https://doi.org/10.1007/978-3-031-69766-1_9.' ieee: 'M. Meyer, T. Kenter, L. Petrica, K. O’Brien, M. Blott, and C. Plessl, “Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL,” in Lecture Notes in Computer Science, Cham: Springer Nature Switzerland, 2024.' mla: Meyer, Marius, et al. “Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL.” Lecture Notes in Computer Science, Springer Nature Switzerland, 2024, doi:10.1007/978-3-031-69766-1_9. short: 'M. Meyer, T. Kenter, L. Petrica, K. O’Brien, M. Blott, C. Plessl, in: Lecture Notes in Computer Science, Springer Nature Switzerland, Cham, 2024.' date_created: 2025-11-04T09:50:24Z date_updated: 2025-11-04T09:51:22Z department: - _id: '27' - _id: '518' doi: 10.1007/978-3-031-69766-1_9 language: - iso: eng main_file_link: - open_access: '1' oa: '1' place: Cham project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Lecture Notes in Computer Science publication_identifier: isbn: - '9783031697654' - '9783031697661' issn: - 0302-9743 - 1611-3349 publication_status: published publisher: Springer Nature Switzerland quality_controlled: '1' status: public title: Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL type: book_chapter user_id: '3145' year: '2024' ... --- _id: '56604' abstract: - lang: eng text: This manuscript makes the claim of having computed the 9th Dedekind number, D(9). This was done by accelerating the core operation of the process with an efficient FPGA design that outperforms an optimized 64-core CPU reference by 95x. The FPGA execution was parallelized on the Noctua 2 supercomputer at Paderborn University. The resulting value for D(9) is 286386577668298411128469151667598498812366. This value can be verified in two steps. We have made the data file containing the 490 M results available, each of which can be verified separately on CPU, and the whole file sums to our proposed value. The paper explains the mathematical approach in the first part, before putting the focus on a deep dive into the FPGA accelerator implementation followed by a performance analysis. The FPGA implementation was done in Register-Transfer Level using a dual-clock architecture and shows how we achieved an impressive FMax of 450 MHz on the targeted Stratix 10 GX 2,800 FPGAs. The total compute time used was 47,000 FPGA hours. author: - first_name: Lennart full_name: Van Hirtum, Lennart id: '100210' last_name: Van Hirtum - first_name: Patrick full_name: De Causmaecker, Patrick last_name: De Causmaecker - first_name: Jens full_name: Goemaere, Jens last_name: Goemaere - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Heinrich full_name: Riebler, Heinrich id: '8961' last_name: Riebler - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: Van Hirtum L, De Causmaecker P, Goemaere J, et al. A Computation of the Ninth Dedekind Number Using FPGA Supercomputing. ACM Transactions on Reconfigurable Technology and Systems. 2024;17(3):1-28. doi:10.1145/3674147 apa: Van Hirtum, L., De Causmaecker, P., Goemaere, J., Kenter, T., Riebler, H., Lass, M., & Plessl, C. (2024). A Computation of the Ninth Dedekind Number Using FPGA Supercomputing. ACM Transactions on Reconfigurable Technology and Systems, 17(3), 1–28. https://doi.org/10.1145/3674147 bibtex: '@article{Van Hirtum_De Causmaecker_Goemaere_Kenter_Riebler_Lass_Plessl_2024, title={A Computation of the Ninth Dedekind Number Using FPGA Supercomputing}, volume={17}, DOI={10.1145/3674147}, number={3}, journal={ACM Transactions on Reconfigurable Technology and Systems}, publisher={Association for Computing Machinery (ACM)}, author={Van Hirtum, Lennart and De Causmaecker, Patrick and Goemaere, Jens and Kenter, Tobias and Riebler, Heinrich and Lass, Michael and Plessl, Christian}, year={2024}, pages={1–28} }' chicago: 'Van Hirtum, Lennart, Patrick De Causmaecker, Jens Goemaere, Tobias Kenter, Heinrich Riebler, Michael Lass, and Christian Plessl. “A Computation of the Ninth Dedekind Number Using FPGA Supercomputing.” ACM Transactions on Reconfigurable Technology and Systems 17, no. 3 (2024): 1–28. https://doi.org/10.1145/3674147.' ieee: 'L. Van Hirtum et al., “A Computation of the Ninth Dedekind Number Using FPGA Supercomputing,” ACM Transactions on Reconfigurable Technology and Systems, vol. 17, no. 3, pp. 1–28, 2024, doi: 10.1145/3674147.' mla: Van Hirtum, Lennart, et al. “A Computation of the Ninth Dedekind Number Using FPGA Supercomputing.” ACM Transactions on Reconfigurable Technology and Systems, vol. 17, no. 3, Association for Computing Machinery (ACM), 2024, pp. 1–28, doi:10.1145/3674147. short: L. Van Hirtum, P. De Causmaecker, J. Goemaere, T. Kenter, H. Riebler, M. Lass, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems 17 (2024) 1–28. date_created: 2024-10-14T07:38:29Z date_updated: 2025-11-04T09:53:26Z department: - _id: '27' - _id: '518' doi: 10.1145/3674147 intvolume: ' 17' issue: '3' language: - iso: eng main_file_link: - open_access: '1' oa: '1' page: 1-28 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: ACM Transactions on Reconfigurable Technology and Systems publication_identifier: issn: - 1936-7406 - 1936-7414 publication_status: published publisher: Association for Computing Machinery (ACM) quality_controlled: '1' status: public title: A Computation of the Ninth Dedekind Number Using FPGA Supercomputing type: journal_article user_id: '3145' volume: 17 year: '2024' ... --- _id: '53503' author: - first_name: Kaan full_name: Olgu, Kaan last_name: Olgu - first_name: Tobias full_name: Kenter, Tobias id: '3145' last_name: Kenter - first_name: Jose full_name: Nunez-Yanez, Jose last_name: Nunez-Yanez - first_name: Simon full_name: Mcintosh-Smith, Simon last_name: Mcintosh-Smith citation: ama: 'Olgu K, Kenter T, Nunez-Yanez J, Mcintosh-Smith S. Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms to Describing Architectures. In: Proceedings of the 12th International Workshop on OpenCL and SYCL. ACM; 2024. doi:10.1145/3648115.3648134' apa: 'Olgu, K., Kenter, T., Nunez-Yanez, J., & Mcintosh-Smith, S. (2024). Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms to Describing Architectures. Proceedings of the 12th International Workshop on OpenCL and SYCL. https://doi.org/10.1145/3648115.3648134' bibtex: '@inproceedings{Olgu_Kenter_Nunez-Yanez_Mcintosh-Smith_2024, title={Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms to Describing Architectures}, DOI={10.1145/3648115.3648134}, booktitle={Proceedings of the 12th International Workshop on OpenCL and SYCL}, publisher={ACM}, author={Olgu, Kaan and Kenter, Tobias and Nunez-Yanez, Jose and Mcintosh-Smith, Simon}, year={2024} }' chicago: 'Olgu, Kaan, Tobias Kenter, Jose Nunez-Yanez, and Simon Mcintosh-Smith. “Optimisation and Evaluation of Breadth First Search with OneAPI/SYCL on Intel FPGAs: From Describing Algorithms to Describing Architectures.” In Proceedings of the 12th International Workshop on OpenCL and SYCL. ACM, 2024. https://doi.org/10.1145/3648115.3648134.' ieee: 'K. Olgu, T. Kenter, J. Nunez-Yanez, and S. Mcintosh-Smith, “Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms to Describing Architectures,” 2024, doi: 10.1145/3648115.3648134.' mla: 'Olgu, Kaan, et al. “Optimisation and Evaluation of Breadth First Search with OneAPI/SYCL on Intel FPGAs: From Describing Algorithms to Describing Architectures.” Proceedings of the 12th International Workshop on OpenCL and SYCL, ACM, 2024, doi:10.1145/3648115.3648134.' short: 'K. Olgu, T. Kenter, J. Nunez-Yanez, S. Mcintosh-Smith, in: Proceedings of the 12th International Workshop on OpenCL and SYCL, ACM, 2024.' date_created: 2024-04-15T07:41:21Z date_updated: 2025-11-04T09:53:59Z department: - _id: '27' - _id: '518' doi: 10.1145/3648115.3648134 language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Proceedings of the 12th International Workshop on OpenCL and SYCL publication_status: published publisher: ACM quality_controlled: '1' status: public title: 'Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms to Describing Architectures' type: conference user_id: '3145' year: '2024' ... --- _id: '62916' author: - first_name: Hongdan full_name: Zhang, Hongdan last_name: Zhang - first_name: Ruixin full_name: Zuo, Ruixin last_name: Zuo - first_name: Shidong full_name: Yang, Shidong last_name: Yang - first_name: Alexander full_name: Trautmann, Alexander last_name: Trautmann - first_name: Xiaohong full_name: Song, Xiaohong last_name: Song - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 - first_name: Weifeng full_name: Yang, Weifeng last_name: Yang citation: ama: 'Zhang H, Zuo R, Yang S, et al. Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models. In: High-Order Harmonic Generation in Solids. WORLD SCIENTIFIC; 2024. doi:10.1142/9789811279560_0006' apa: Zhang, H., Zuo, R., Yang, S., Trautmann, A., Song, X., Meier, T., & Yang, W. (2024). Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models. In High-Order Harmonic Generation in Solids. WORLD SCIENTIFIC. https://doi.org/10.1142/9789811279560_0006 bibtex: '@inbook{Zhang_Zuo_Yang_Trautmann_Song_Meier_Yang_2024, title={Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models}, DOI={10.1142/9789811279560_0006}, booktitle={High-Order Harmonic Generation in Solids}, publisher={WORLD SCIENTIFIC}, author={Zhang, Hongdan and Zuo, Ruixin and Yang, Shidong and Trautmann, Alexander and Song, Xiaohong and Meier, Torsten and Yang, Weifeng}, year={2024} }' chicago: Zhang, Hongdan, Ruixin Zuo, Shidong Yang, Alexander Trautmann, Xiaohong Song, Torsten Meier, and Weifeng Yang. “Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models.” In High-Order Harmonic Generation in Solids. WORLD SCIENTIFIC, 2024. https://doi.org/10.1142/9789811279560_0006. ieee: H. Zhang et al., “Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models,” in High-Order Harmonic Generation in Solids, WORLD SCIENTIFIC, 2024. mla: Zhang, Hongdan, et al. “Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models.” High-Order Harmonic Generation in Solids, WORLD SCIENTIFIC, 2024, doi:10.1142/9789811279560_0006. short: 'H. Zhang, R. Zuo, S. Yang, A. Trautmann, X. Song, T. Meier, W. Yang, in: High-Order Harmonic Generation in Solids, WORLD SCIENTIFIC, 2024.' date_created: 2025-12-05T09:42:23Z date_updated: 2025-12-05T09:43:37Z department: - _id: '15' - _id: '170' - _id: '293' - _id: '230' - _id: '35' - _id: '429' - _id: '27' doi: 10.1142/9789811279560_0006 language: - iso: eng project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '56' name: TRR 142 - Project Area C - _id: '174' name: 'TRR 142 ; TP: C10: Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse' - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: High-Order Harmonic Generation in Solids publication_identifier: isbn: - '9789811279553' - '9789811279560' publication_status: published publisher: WORLD SCIENTIFIC status: public title: Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models type: book_chapter user_id: '16199' year: '2024' ... --- _id: '62917' author: - first_name: Matthias full_name: Reichelt, Matthias id: '138' last_name: Reichelt - first_name: Ruixin full_name: Zuo, Ruixin last_name: Zuo - first_name: Xiaohong full_name: Song, Xiaohong last_name: Song - first_name: Weifeng full_name: Yang, Weifeng last_name: Yang - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 citation: ama: 'Reichelt M, Zuo R, Song X, Yang W, Meier T. High-Order Harmonic Generation in Semiconductors with Excitonic Effects. In: High-Order Harmonic Generation in Solids. WORLD SCIENTIFIC; 2024. doi:10.1142/9789811279560_0009' apa: Reichelt, M., Zuo, R., Song, X., Yang, W., & Meier, T. (2024). High-Order Harmonic Generation in Semiconductors with Excitonic Effects. In High-Order Harmonic Generation in Solids. WORLD SCIENTIFIC. https://doi.org/10.1142/9789811279560_0009 bibtex: '@inbook{Reichelt_Zuo_Song_Yang_Meier_2024, title={High-Order Harmonic Generation in Semiconductors with Excitonic Effects}, DOI={10.1142/9789811279560_0009}, booktitle={High-Order Harmonic Generation in Solids}, publisher={WORLD SCIENTIFIC}, author={Reichelt, Matthias and Zuo, Ruixin and Song, Xiaohong and Yang, Weifeng and Meier, Torsten}, year={2024} }' chicago: Reichelt, Matthias, Ruixin Zuo, Xiaohong Song, Weifeng Yang, and Torsten Meier. “High-Order Harmonic Generation in Semiconductors with Excitonic Effects.” In High-Order Harmonic Generation in Solids. WORLD SCIENTIFIC, 2024. https://doi.org/10.1142/9789811279560_0009. ieee: M. Reichelt, R. Zuo, X. Song, W. Yang, and T. Meier, “High-Order Harmonic Generation in Semiconductors with Excitonic Effects,” in High-Order Harmonic Generation in Solids, WORLD SCIENTIFIC, 2024. mla: Reichelt, Matthias, et al. “High-Order Harmonic Generation in Semiconductors with Excitonic Effects.” High-Order Harmonic Generation in Solids, WORLD SCIENTIFIC, 2024, doi:10.1142/9789811279560_0009. short: 'M. Reichelt, R. Zuo, X. Song, W. Yang, T. Meier, in: High-Order Harmonic Generation in Solids, WORLD SCIENTIFIC, 2024.' date_created: 2025-12-05T09:44:20Z date_updated: 2025-12-05T09:45:31Z department: - _id: '15' - _id: '170' - _id: '293' - _id: '35' - _id: '230' - _id: '429' - _id: '27' doi: 10.1142/9789811279560_0009 language: - iso: eng project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '56' name: TRR 142 - Project Area C - _id: '174' name: 'TRR 142 ; TP: C10: Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse' - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: High-Order Harmonic Generation in Solids publication_identifier: isbn: - '9789811279553' - '9789811279560' publication_status: published publisher: WORLD SCIENTIFIC status: public title: High-Order Harmonic Generation in Semiconductors with Excitonic Effects type: book_chapter user_id: '16199' year: '2024' ... --- _id: '62915' author: - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 - first_name: Usman full_name: Ali, Usman last_name: Ali - first_name: Martin full_name: Holthaus, Martin last_name: Holthaus citation: ama: Meier T, Ali U, Holthaus M. Floquet Dynamics of Ultracold Atoms in Optical Lattices with a Parametrically Modulated Trapping Potential. LibreCat University; 2024. doi:10.5281/ZENODO.11935146 apa: Meier, T., Ali, U., & Holthaus, M. (2024). Floquet dynamics of ultracold atoms in optical lattices with a parametrically modulated trapping potential. LibreCat University. https://doi.org/10.5281/ZENODO.11935146 bibtex: '@book{Meier_Ali_Holthaus_2024, title={Floquet dynamics of ultracold atoms in optical lattices with a parametrically modulated trapping potential}, DOI={10.5281/ZENODO.11935146}, publisher={LibreCat University}, author={Meier, Torsten and Ali, Usman and Holthaus, Martin}, year={2024} }' chicago: Meier, Torsten, Usman Ali, and Martin Holthaus. Floquet Dynamics of Ultracold Atoms in Optical Lattices with a Parametrically Modulated Trapping Potential. LibreCat University, 2024. https://doi.org/10.5281/ZENODO.11935146. ieee: T. Meier, U. Ali, and M. Holthaus, Floquet dynamics of ultracold atoms in optical lattices with a parametrically modulated trapping potential. LibreCat University, 2024. mla: Meier, Torsten, et al. Floquet Dynamics of Ultracold Atoms in Optical Lattices with a Parametrically Modulated Trapping Potential. LibreCat University, 2024, doi:10.5281/ZENODO.11935146. short: T. Meier, U. Ali, M. Holthaus, Floquet Dynamics of Ultracold Atoms in Optical Lattices with a Parametrically Modulated Trapping Potential, LibreCat University, 2024. date_created: 2025-12-05T09:41:14Z date_updated: 2025-12-05T09:42:11Z department: - _id: '15' - _id: '170' - _id: '293' - _id: '230' - _id: '35' - _id: '27' doi: 10.5281/ZENODO.11935146 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publisher: LibreCat University status: public title: Floquet dynamics of ultracold atoms in optical lattices with a parametrically modulated trapping potential type: research_data user_id: '16199' year: '2024' ... --- _id: '60581' abstract: - lang: eng text: "Abstract\r\n The natural band alignments between indium phosphide and the main dioxides of titanium, i.e. rutile, anatase, and brookite as well as amorphous titania are calculated from the branch-point energies of the respective materials. Irrespective of the titania polymorph considered, type-I band alignment is predicted. This may change, however, in dependence on the microscopic interface structure: supercell calculations for amorphous titania grown on P-rich InP(001) surfaces result in a titania conduction band that nearly aligns with that of InP. Depending on the interface specifics, both type-I band and type-II band alignments are observed in the simulations. This agrees with recent experimental findings." article_number: '075001' author: - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Christian full_name: Dreßler, Christian last_name: Dreßler - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: 'Ruiz Alvarado IA, Dreßler C, Schmidt WG. Band alignment at InP/TiO2 interfaces from density-functional theory. Journal of Physics: Condensed Matter. 2024;37(7). doi:10.1088/1361-648x/ad9725' apa: 'Ruiz Alvarado, I. A., Dreßler, C., & Schmidt, W. G. (2024). Band alignment at InP/TiO2 interfaces from density-functional theory. Journal of Physics: Condensed Matter, 37(7), Article 075001. https://doi.org/10.1088/1361-648x/ad9725' bibtex: '@article{Ruiz Alvarado_Dreßler_Schmidt_2024, title={Band alignment at InP/TiO2 interfaces from density-functional theory}, volume={37}, DOI={10.1088/1361-648x/ad9725}, number={7075001}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Ruiz Alvarado, Isaac Azahel and Dreßler, Christian and Schmidt, Wolf Gero}, year={2024} }' chicago: 'Ruiz Alvarado, Isaac Azahel, Christian Dreßler, and Wolf Gero Schmidt. “Band Alignment at InP/TiO2 Interfaces from Density-Functional Theory.” Journal of Physics: Condensed Matter 37, no. 7 (2024). https://doi.org/10.1088/1361-648x/ad9725.' ieee: 'I. A. Ruiz Alvarado, C. Dreßler, and W. G. Schmidt, “Band alignment at InP/TiO2 interfaces from density-functional theory,” Journal of Physics: Condensed Matter, vol. 37, no. 7, Art. no. 075001, 2024, doi: 10.1088/1361-648x/ad9725.' mla: 'Ruiz Alvarado, Isaac Azahel, et al. “Band Alignment at InP/TiO2 Interfaces from Density-Functional Theory.” Journal of Physics: Condensed Matter, vol. 37, no. 7, 075001, IOP Publishing, 2024, doi:10.1088/1361-648x/ad9725.' short: 'I.A. Ruiz Alvarado, C. Dreßler, W.G. Schmidt, Journal of Physics: Condensed Matter 37 (2024).' date_created: 2025-07-09T13:40:51Z date_updated: 2025-12-05T13:35:44Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1088/1361-648x/ad9725 intvolume: ' 37' issue: '7' language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' publication: 'Journal of Physics: Condensed Matter' publication_identifier: issn: - 0953-8984 - 1361-648X publication_status: published publisher: IOP Publishing status: public title: Band alignment at InP/TiO2 interfaces from density-functional theory type: journal_article user_id: '16199' volume: 37 year: '2024' ... --- _id: '54868' abstract: - lang: eng text: AbstractMost properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution. Especially for 2D materials, the atomic electric fields influence the optoelectronic properties. In this study, the atomic‐scale electric field and charge density distribution of WSe2 bi‐ and trilayers are revealed using an emerging microscopy technique, differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). For pristine material, a higher positive charge density located at the selenium atomic columns compared to the tungsten atomic columns is obtained and tentatively explained by a coherent scattering effect. Furthermore, the change in the electric field distribution induced by a missing selenium atomic column is investigated. A characteristic electric field distribution in the vicinity of the defect with locally reduced magnitudes compared to the pristine lattice is observed. This effect is accompanied by a considerable inward relaxation of the surrounding lattice, which according to first principles DFT calculation is fully compatible with a missing column of Se atoms. This shows that DPC imaging, as an electric field sensitive technique, provides additional and remarkable information to the otherwise only structural analysis obtained with conventional STEM imaging. article_type: original author: - first_name: Maja full_name: Groll, Maja last_name: Groll - first_name: Julius full_name: Bürger, Julius id: '46952' last_name: Bürger - first_name: Ioannis full_name: Caltzidis, Ioannis id: '87911' last_name: Caltzidis - first_name: Klaus D. full_name: Jöns, Klaus D. id: '85353' last_name: Jöns - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Jörg K. N. full_name: Lindner, Jörg K. N. id: '20797' last_name: Lindner citation: ama: Groll M, Bürger J, Caltzidis I, et al. DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging. Small. Published online 2024. doi:10.1002/smll.202311635 apa: Groll, M., Bürger, J., Caltzidis, I., Jöns, K. D., Schmidt, W. G., Gerstmann, U., & Lindner, J. K. N. (2024). DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging. Small. https://doi.org/10.1002/smll.202311635 bibtex: '@article{Groll_Bürger_Caltzidis_Jöns_Schmidt_Gerstmann_Lindner_2024, title={DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging}, DOI={10.1002/smll.202311635}, journal={Small}, publisher={Wiley}, author={Groll, Maja and Bürger, Julius and Caltzidis, Ioannis and Jöns, Klaus D. and Schmidt, Wolf Gero and Gerstmann, Uwe and Lindner, Jörg K. N.}, year={2024} }' chicago: Groll, Maja, Julius Bürger, Ioannis Caltzidis, Klaus D. Jöns, Wolf Gero Schmidt, Uwe Gerstmann, and Jörg K. N. Lindner. “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.” Small, 2024. https://doi.org/10.1002/smll.202311635. ieee: 'M. Groll et al., “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging,” Small, 2024, doi: 10.1002/smll.202311635.' mla: Groll, Maja, et al. “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.” Small, Wiley, 2024, doi:10.1002/smll.202311635. short: M. Groll, J. Bürger, I. Caltzidis, K.D. Jöns, W.G. Schmidt, U. Gerstmann, J.K.N. Lindner, Small (2024). date_created: 2024-06-24T09:46:25Z date_updated: 2025-12-05T13:39:01Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '642' - _id: '286' - _id: '429' - _id: '230' - _id: '27' - _id: '35' - _id: '169' doi: 10.1002/smll.202311635 language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Small publication_identifier: issn: - 1613-6810 - 1613-6829 publication_status: published publisher: Wiley status: public title: DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging type: journal_article user_id: '16199' year: '2024' ... --- _id: '60582' abstract: - lang: eng text: AbstractThe current efficiency records for generating green hydrogen via solar water splitting are held by indium phosphide (InP)‐based photo‐absorbers, protected by TiO2 layers grown through atomic layer deposition (ALD). InP is also a leading material for photonic integrated circuits and computing, where ultrafast near‐surface behavior is key. A previous study described electronic pathways at the phosphorus‐rich (P‐rich) surface of p‐doped InP(100) using time‐resolved two‐photon photoemission (tr‐2PPE) spectroscopy. Here, the intricate electron pathways of the P‐rich InP surface modified with ALD‐deposited TiO2 are explored. Photoexcited bulk InP electrons migrate through a bulk‐to‐surface transition cluster of states and surface states and inject into the TiO2 conduction band (CB). Energy levels and occupation dynamics of CB states in P‐rich InP and TiO2 adlayers are observed, with discrete states preserved up to 10 nm TiO2 deposition. Thermalization lifetimes of excited electrons > 0.8 eV above the InP conduction band minimum (CBM) are preserved for layer thicknesses up to 2.5 nm. Annealing at 300 °C to achieve crystalline TiO2 reconstructions destroys interfacial states, affecting charge transfer. These observations enable innovative engineering of the P‐rich InP/TiO2 heterointerface, opening new possibilities for studying hot‐carrier extraction, adsorbate effects, surface plasmons, and improving photovoltaic and PEC water‐splitting devices. article_type: original author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Jennifer Velazquez full_name: Rojas, Jennifer Velazquez last_name: Rojas - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Mohammad Amin Zare full_name: Pour, Mohammad Amin Zare last_name: Pour - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: Diederich J, Rojas JV, Paszuk A, et al. Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface. Advanced Functional Materials. 2024;34(49). doi:10.1002/adfm.202409455 apa: Diederich, J., Rojas, J. V., Paszuk, A., Pour, M. A. Z., Höhn, C., Ruiz Alvarado, I. A., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., van de Krol, R., & Friedrich, D. (2024). Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface. Advanced Functional Materials, 34(49). https://doi.org/10.1002/adfm.202409455 bibtex: '@article{Diederich_Rojas_Paszuk_Pour_Höhn_Ruiz Alvarado_Schwarzburg_Ostheimer_Eichberger_Schmidt_et al._2024, title={Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface}, volume={34}, DOI={10.1002/adfm.202409455}, number={49}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Diederich, Jonathan and Rojas, Jennifer Velazquez and Paszuk, Agnieszka and Pour, Mohammad Amin Zare and Höhn, Christian and Ruiz Alvarado, Isaac Azahel and Schwarzburg, Klaus and Ostheimer, David and Eichberger, Rainer and Schmidt, Wolf Gero and et al.}, year={2024} }' chicago: Diederich, Jonathan, Jennifer Velazquez Rojas, Agnieszka Paszuk, Mohammad Amin Zare Pour, Christian Höhn, Isaac Azahel Ruiz Alvarado, Klaus Schwarzburg, et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface.” Advanced Functional Materials 34, no. 49 (2024). https://doi.org/10.1002/adfm.202409455. ieee: 'J. Diederich et al., “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface,” Advanced Functional Materials, vol. 34, no. 49, 2024, doi: 10.1002/adfm.202409455.' mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface.” Advanced Functional Materials, vol. 34, no. 49, Wiley, 2024, doi:10.1002/adfm.202409455. short: J. Diederich, J.V. Rojas, A. Paszuk, M.A.Z. Pour, C. Höhn, I.A. Ruiz Alvarado, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Functional Materials 34 (2024). date_created: 2025-07-09T13:47:37Z date_updated: 2025-12-05T13:39:54Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1002/adfm.202409455 intvolume: ' 34' issue: '49' language: - iso: eng publication: Advanced Functional Materials publication_identifier: issn: - 1616-301X - 1616-3028 publication_status: published publisher: Wiley status: public title: Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface type: journal_article user_id: '16199' volume: 34 year: '2024' ... --- _id: '54856' abstract: - lang: eng text: "Abstract\r\n Theoretical spectroscopy based on double perturbation theory is typically challenged by systems with large orbital hyperfine splitting. Therefore, we here derive a rigorous, non-perturbative scheme starting from Dirac’s equation which allows to calculate the contribution of the orbital HFI for complex structures including heavy atoms with strong spin-orbit coupling (SOC). Using the PAW formalism, the method has been implemented in the software package Quantum ESPRESSO. We show that the ‘orbital part’ actually scales with SOC strength if orbital quenching is hindered by low local symmetry, i.e. in case of dimers or atoms at surfaces. This holds true in particular when the unpaired electron is localized in quasi-atomic p-like orbitals. Here, the orbital part is by far not negligible, but becomes dominant by surpassing the dipolar contribution by a factor of five." article_number: '012094' author: - first_name: Katharina full_name: Franzke, Katharina last_name: Franzke - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Franzke K, Schmidt WG, Gerstmann U. Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. Journal of Physics: Conference Series. 2024;2701(1). doi:10.1088/1742-6596/2701/1/012094' apa: 'Franzke, K., Schmidt, W. G., & Gerstmann, U. (2024). Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. Journal of Physics: Conference Series, 2701(1), Article 012094. https://doi.org/10.1088/1742-6596/2701/1/012094' bibtex: '@article{Franzke_Schmidt_Gerstmann_2024, title={Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures}, volume={2701}, DOI={10.1088/1742-6596/2701/1/012094}, number={1012094}, journal={Journal of Physics: Conference Series}, publisher={IOP Publishing}, author={Franzke, Katharina and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2024} }' chicago: 'Franzke, Katharina, Wolf Gero Schmidt, and Uwe Gerstmann. “Relativistic Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.” Journal of Physics: Conference Series 2701, no. 1 (2024). https://doi.org/10.1088/1742-6596/2701/1/012094.' ieee: 'K. Franzke, W. G. Schmidt, and U. Gerstmann, “Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures,” Journal of Physics: Conference Series, vol. 2701, no. 1, Art. no. 012094, 2024, doi: 10.1088/1742-6596/2701/1/012094.' mla: 'Franzke, Katharina, et al. “Relativistic Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.” Journal of Physics: Conference Series, vol. 2701, no. 1, 012094, IOP Publishing, 2024, doi:10.1088/1742-6596/2701/1/012094.' short: 'K. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 2701 (2024).' date_created: 2024-06-24T06:26:02Z date_updated: 2025-12-05T13:36:01Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '230' - _id: '429' - _id: '27' - _id: '35' doi: 10.1088/1742-6596/2701/1/012094 intvolume: ' 2701' issue: '1' language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: 'Journal of Physics: Conference Series' publication_identifier: issn: - 1742-6588 - 1742-6596 publication_status: published publisher: IOP Publishing status: public title: Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures type: journal_article user_id: '16199' volume: 2701 year: '2024' ... --- _id: '54866' author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Jennifer full_name: Velasquez Rojas, Jennifer last_name: Velasquez Rojas - first_name: Mohammad Amin full_name: Zare Pour, Mohammad Amin last_name: Zare Pour - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Rachele full_name: Sciotto, Rachele last_name: Sciotto - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: 'Diederich J, Velasquez Rojas J, Zare Pour MA, et al. Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study. Journal of the American Chemical Society. 2024;146(13):8949-8960. doi:10.1021/jacs.3c12487' apa: 'Diederich, J., Velasquez Rojas, J., Zare Pour, M. A., Ruiz Alvarado, I. A., Paszuk, A., Sciotto, R., Höhn, C., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., van de Krol, R., & Friedrich, D. (2024). Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study. Journal of the American Chemical Society, 146(13), 8949–8960. https://doi.org/10.1021/jacs.3c12487' bibtex: '@article{Diederich_Velasquez Rojas_Zare Pour_Ruiz Alvarado_Paszuk_Sciotto_Höhn_Schwarzburg_Ostheimer_Eichberger_et al._2024, title={Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study}, volume={146}, DOI={10.1021/jacs.3c12487}, number={13}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Diederich, Jonathan and Velasquez Rojas, Jennifer and Zare Pour, Mohammad Amin and Ruiz Alvarado, Isaac Azahel and Paszuk, Agnieszka and Sciotto, Rachele and Höhn, Christian and Schwarzburg, Klaus and Ostheimer, David and Eichberger, Rainer and et al.}, year={2024}, pages={8949–8960} }' chicago: 'Diederich, Jonathan, Jennifer Velasquez Rojas, Mohammad Amin Zare Pour, Isaac Azahel Ruiz Alvarado, Agnieszka Paszuk, Rachele Sciotto, Christian Höhn, et al. “Unraveling Electron Dynamics in P-Type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study.” Journal of the American Chemical Society 146, no. 13 (2024): 8949–60. https://doi.org/10.1021/jacs.3c12487.' ieee: 'J. Diederich et al., “Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study,” Journal of the American Chemical Society, vol. 146, no. 13, pp. 8949–8960, 2024, doi: 10.1021/jacs.3c12487.' mla: 'Diederich, Jonathan, et al. “Unraveling Electron Dynamics in P-Type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study.” Journal of the American Chemical Society, vol. 146, no. 13, American Chemical Society (ACS), 2024, pp. 8949–60, doi:10.1021/jacs.3c12487.' short: J. Diederich, J. Velasquez Rojas, M.A. Zare Pour, I.A. Ruiz Alvarado, A. Paszuk, R. Sciotto, C. Höhn, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Journal of the American Chemical Society 146 (2024) 8949–8960. date_created: 2024-06-24T09:42:46Z date_updated: 2025-12-05T13:37:59Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1021/jacs.3c12487 intvolume: ' 146' issue: '13' language: - iso: eng page: 8949-8960 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society (ACS) status: public title: 'Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study' type: journal_article user_id: '16199' volume: 146 year: '2024' ... --- _id: '54855' abstract: - lang: eng text: Density-functional theory calculations on P-rich InP(001):H surfaces are presented. Depending on temperature, pressure and substrate doping, hydrogen desorption or adsorption will occur and influence the surface electronic properties. For p-doped samples, the charge transition levels of the P dangling bond defects resulting from H desorption will lead to Fermi level pinning in the lower half of the band gap. This explains recent experimental data. For n-doped substrates, H-deficient surfaces are the ground-state structure. This will lead to Fermi level pinning below the bulk conduction band minimum. Surface defects resulting from the adsorption of additional hydrogen can be expected as well, but affect the surface electronic properties less than H desorption. author: - first_name: Rachele full_name: Sciotto, Rachele last_name: Sciotto - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Sciotto R, Ruiz Alvarado IA, Schmidt WG. Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties. Surfaces. 2024;7(1):79-87. doi:10.3390/surfaces7010006 apa: Sciotto, R., Ruiz Alvarado, I. A., & Schmidt, W. G. (2024). Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties. Surfaces, 7(1), 79–87. https://doi.org/10.3390/surfaces7010006 bibtex: '@article{Sciotto_Ruiz Alvarado_Schmidt_2024, title={Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties}, volume={7}, DOI={10.3390/surfaces7010006}, number={1}, journal={Surfaces}, publisher={MDPI AG}, author={Sciotto, Rachele and Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero}, year={2024}, pages={79–87} }' chicago: 'Sciotto, Rachele, Isaac Azahel Ruiz Alvarado, and Wolf Gero Schmidt. “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties.” Surfaces 7, no. 1 (2024): 79–87. https://doi.org/10.3390/surfaces7010006.' ieee: 'R. Sciotto, I. A. Ruiz Alvarado, and W. G. Schmidt, “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties,” Surfaces, vol. 7, no. 1, pp. 79–87, 2024, doi: 10.3390/surfaces7010006.' mla: Sciotto, Rachele, et al. “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties.” Surfaces, vol. 7, no. 1, MDPI AG, 2024, pp. 79–87, doi:10.3390/surfaces7010006. short: R. Sciotto, I.A. Ruiz Alvarado, W.G. Schmidt, Surfaces 7 (2024) 79–87. date_created: 2024-06-24T06:24:26Z date_updated: 2025-12-05T13:36:19Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.3390/surfaces7010006 intvolume: ' 7' issue: '1' language: - iso: eng page: 79-87 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Surfaces publication_identifier: issn: - 2571-9637 publication_status: published publisher: MDPI AG status: public title: Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties type: journal_article user_id: '16199' volume: 7 year: '2024' ... --- _id: '54869' article_number: '100629' author: - first_name: H. full_name: Pfnür, H. last_name: Pfnür - first_name: C. full_name: Tegenkamp, C. last_name: Tegenkamp - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: E. full_name: Jeckelmann, E. last_name: Jeckelmann - first_name: M. full_name: Horn-von Hoegen, M. last_name: Horn-von Hoegen - first_name: U. full_name: Bovensiepen, U. last_name: Bovensiepen - first_name: N. full_name: Esser, N. last_name: Esser - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: M. full_name: Dähne, M. last_name: Dähne - first_name: S. full_name: Wippermann, S. last_name: Wippermann - first_name: F. full_name: Bechstedt, F. last_name: Bechstedt - first_name: M. full_name: Bode, M. last_name: Bode - first_name: R. full_name: Claessen, R. last_name: Claessen - first_name: R. full_name: Ernstorfer, R. last_name: Ernstorfer - first_name: C. full_name: Hogan, C. last_name: Hogan - first_name: M. full_name: Ligges, M. last_name: Ligges - first_name: A. full_name: Pucci, A. last_name: Pucci - first_name: J. full_name: Schäfer, J. last_name: Schäfer - first_name: E. full_name: Speiser, E. last_name: Speiser - first_name: M. full_name: Wolf, M. last_name: Wolf - first_name: J. full_name: Wollschläger, J. last_name: Wollschläger citation: ama: 'Pfnür H, Tegenkamp C, Sanna S, et al. Atomic wires on substrates: Physics between one and two dimensions. Surface Science Reports. 2024;79(2). doi:10.1016/j.surfrep.2024.100629' apa: 'Pfnür, H., Tegenkamp, C., Sanna, S., Jeckelmann, E., Horn-von Hoegen, M., Bovensiepen, U., Esser, N., Schmidt, W. G., Dähne, M., Wippermann, S., Bechstedt, F., Bode, M., Claessen, R., Ernstorfer, R., Hogan, C., Ligges, M., Pucci, A., Schäfer, J., Speiser, E., … Wollschläger, J. (2024). Atomic wires on substrates: Physics between one and two dimensions. Surface Science Reports, 79(2), Article 100629. https://doi.org/10.1016/j.surfrep.2024.100629' bibtex: '@article{Pfnür_Tegenkamp_Sanna_Jeckelmann_Horn-von Hoegen_Bovensiepen_Esser_Schmidt_Dähne_Wippermann_et al._2024, title={Atomic wires on substrates: Physics between one and two dimensions}, volume={79}, DOI={10.1016/j.surfrep.2024.100629}, number={2100629}, journal={Surface Science Reports}, publisher={Elsevier BV}, author={Pfnür, H. and Tegenkamp, C. and Sanna, S. and Jeckelmann, E. and Horn-von Hoegen, M. and Bovensiepen, U. and Esser, N. and Schmidt, Wolf Gero and Dähne, M. and Wippermann, S. and et al.}, year={2024} }' chicago: 'Pfnür, H., C. Tegenkamp, S. Sanna, E. Jeckelmann, M. Horn-von Hoegen, U. Bovensiepen, N. Esser, et al. “Atomic Wires on Substrates: Physics between One and Two Dimensions.” Surface Science Reports 79, no. 2 (2024). https://doi.org/10.1016/j.surfrep.2024.100629.' ieee: 'H. Pfnür et al., “Atomic wires on substrates: Physics between one and two dimensions,” Surface Science Reports, vol. 79, no. 2, Art. no. 100629, 2024, doi: 10.1016/j.surfrep.2024.100629.' mla: 'Pfnür, H., et al. “Atomic Wires on Substrates: Physics between One and Two Dimensions.” Surface Science Reports, vol. 79, no. 2, 100629, Elsevier BV, 2024, doi:10.1016/j.surfrep.2024.100629.' short: H. Pfnür, C. Tegenkamp, S. Sanna, E. Jeckelmann, M. Horn-von Hoegen, U. Bovensiepen, N. Esser, W.G. Schmidt, M. Dähne, S. Wippermann, F. Bechstedt, M. Bode, R. Claessen, R. Ernstorfer, C. Hogan, M. Ligges, A. Pucci, J. Schäfer, E. Speiser, M. Wolf, J. Wollschläger, Surface Science Reports 79 (2024). date_created: 2024-06-24T09:50:37Z date_updated: 2025-12-05T13:36:47Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1016/j.surfrep.2024.100629 intvolume: ' 79' issue: '2' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Surface Science Reports publication_identifier: issn: - 0167-5729 publication_status: published publisher: Elsevier BV status: public title: 'Atomic wires on substrates: Physics between one and two dimensions' type: journal_article user_id: '16199' volume: 79 year: '2024' ... --- _id: '54865' article_number: '076201' author: - first_name: Marvin full_name: Krenz, Marvin id: '52309' last_name: Krenz - 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 citation: ama: Krenz M, Gerstmann U, Schmidt WG. Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. Physical Review Letters. 2024;132(7). doi:10.1103/physrevlett.132.076201 apa: Krenz, M., Gerstmann, U., & Schmidt, W. G. (2024). Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. Physical Review Letters, 132(7), Article 076201. https://doi.org/10.1103/physrevlett.132.076201 bibtex: '@article{Krenz_Gerstmann_Schmidt_2024, title={Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface}, volume={132}, DOI={10.1103/physrevlett.132.076201}, number={7076201}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2024} }' chicago: Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.” Physical Review Letters 132, no. 7 (2024). https://doi.org/10.1103/physrevlett.132.076201. ieee: 'M. Krenz, U. Gerstmann, and W. G. Schmidt, “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface,” Physical Review Letters, vol. 132, no. 7, Art. no. 076201, 2024, doi: 10.1103/physrevlett.132.076201.' mla: Krenz, Marvin, et al. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.” Physical Review Letters, vol. 132, no. 7, 076201, American Physical Society (APS), 2024, doi:10.1103/physrevlett.132.076201. short: M. Krenz, U. Gerstmann, W.G. Schmidt, Physical Review Letters 132 (2024). date_created: 2024-06-24T09:39:42Z date_updated: 2025-12-05T13:38:22Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '429' - _id: '27' - _id: '230' - _id: '35' doi: 10.1103/physrevlett.132.076201 intvolume: ' 132' issue: '7' language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (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: Physical Review Letters publication_identifier: issn: - 0031-9007 - 1079-7114 publication_status: published publisher: American Physical Society (APS) status: public title: Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface type: journal_article user_id: '16199' volume: 132 year: '2024' ... --- _id: '62868' abstract: - lang: eng text: We theoretically investigate strategies for the deterministic creation of trains of time-bin entangled photons using an individual quantum emitter described by a Λ-type electronic system. We explicitly demonstrate the theoretical generation of linear cluster states with substantial numbers of entangled photonic qubits in full microscopic numerical simulations. The underlying scheme is based on the manipulation of ground state coherences through precise optical driving. One important finding is that the most easily accessible quality metrics, the achievable rotation fidelities, fall short in assessing the actual quantum correlations of the emitted photons in the face of losses. To address this, we explicitly calculate stabilizer generator expectation values as a superior gauge for the quantum properties of the generated many-photon state. With widespread applicability in other emitter and excitation–emission schemes also, our work lays the conceptual foundations for an in-depth practical analysis of time-bin entanglement based on full numerical simulations with predictive capabilities for realistic systems and setups, including losses and imperfections. The specific results shown in the present work illustrate that with controlled minimization of losses and realistic system parameters for quantum-dot type systems, useful linear cluster states of significant lengths can be generated in the calculations, discussing the possibility of scalability for quantum information processing endeavors. article_number: '036110' author: - first_name: David full_name: Bauch, David last_name: Bauch - first_name: Nikolas full_name: Köcher, Nikolas id: '79191' last_name: Köcher - first_name: Nils full_name: Heinisch, Nils id: '90283' last_name: Heinisch orcid: 0009-0006-0984-2097 - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Bauch D, Köcher N, Heinisch N, Schumacher S. Time-bin entanglement in the deterministic generation of linear photonic cluster states. APL Quantum. 2024;1(3). doi:10.1063/5.0214197 apa: Bauch, D., Köcher, N., Heinisch, N., & Schumacher, S. (2024). Time-bin entanglement in the deterministic generation of linear photonic cluster states. APL Quantum, 1(3), Article 036110. https://doi.org/10.1063/5.0214197 bibtex: '@article{Bauch_Köcher_Heinisch_Schumacher_2024, title={Time-bin entanglement in the deterministic generation of linear photonic cluster states}, volume={1}, DOI={10.1063/5.0214197}, number={3036110}, journal={APL Quantum}, publisher={AIP Publishing}, author={Bauch, David and Köcher, Nikolas and Heinisch, Nils and Schumacher, Stefan}, year={2024} }' chicago: Bauch, David, Nikolas Köcher, Nils Heinisch, and Stefan Schumacher. “Time-Bin Entanglement in the Deterministic Generation of Linear Photonic Cluster States.” APL Quantum 1, no. 3 (2024). https://doi.org/10.1063/5.0214197. ieee: 'D. Bauch, N. Köcher, N. Heinisch, and S. Schumacher, “Time-bin entanglement in the deterministic generation of linear photonic cluster states,” APL Quantum, vol. 1, no. 3, Art. no. 036110, 2024, doi: 10.1063/5.0214197.' mla: Bauch, David, et al. “Time-Bin Entanglement in the Deterministic Generation of Linear Photonic Cluster States.” APL Quantum, vol. 1, no. 3, 036110, AIP Publishing, 2024, doi:10.1063/5.0214197. short: D. Bauch, N. Köcher, N. Heinisch, S. Schumacher, APL Quantum 1 (2024). date_created: 2025-12-04T12:35:53Z date_updated: 2025-12-05T13:55:00Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '35' - _id: '27' - _id: '429' - _id: '230' - _id: '623' doi: 10.1063/5.0214197 intvolume: ' 1' issue: '3' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '173' name: 'TRR 142; TP C09: Ideale Erzeugung von Photonenpaaren für Verschränkungsaustausch bei Telekom Wellenlängen' - _id: '266' name: 'PhoQC: Photonisches Quantencomputing' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '56' name: TRR 142 - Project Area C publication: APL Quantum publication_identifier: issn: - 2835-0103 publication_status: published publisher: AIP Publishing status: public title: Time-bin entanglement in the deterministic generation of linear photonic cluster states type: journal_article user_id: '16199' volume: 1 year: '2024' ... --- _id: '53202' abstract: - lang: eng text: At large scales, quantum systems may become advantageous over their classical counterparts at performing certain tasks. Developing tools to analyze these systems at the relevant scales, in a manner consistent with quantum mechanics, is therefore critical to benchmarking performance and characterizing their operation. While classical computational approaches cannot perform like-for-like computations of quantum systems beyond a certain scale, classical high-performance computing (HPC) may nevertheless be useful for precisely these characterization and certification tasks. By developing open-source customized algorithms using high-performance computing, we perform quantum tomography on a megascale quantum photonic detector covering a Hilbert space of 106. This requires finding 108 elements of the matrix corresponding to the positive operator valued measure (POVM), the quantum description of the detector, and is achieved in minutes of computation time. Moreover, by exploiting the structure of the problem, we achieve highly efficient parallel scaling, paving the way for quantum objects up to a system size of 1012 elements to be reconstructed using this method. In general, this shows that a consistent quantum mechanical description of quantum phenomena is applicable at everyday scales. More concretely, this enables the reconstruction of large-scale quantum sources, processes and detectors used in computation and sampling tasks, which may be necessary to prove their nonclassical character or quantum computational advantage. author: - first_name: Timon full_name: Schapeler, Timon id: '55629' last_name: Schapeler orcid: 0000-0001-7652-1716 - first_name: Robert full_name: Schade, Robert id: '75963' last_name: Schade orcid: 0000-0002-6268-5397 - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Tim full_name: Bartley, Tim id: '49683' last_name: Bartley citation: ama: Schapeler T, Schade R, Lass M, Plessl C, Bartley T. Scalable quantum detector tomography by high-performance computing. Quantum Science and Technology. 2024;10(1). doi:10.1088/2058-9565/ad8511 apa: Schapeler, T., Schade, R., Lass, M., Plessl, C., & Bartley, T. (2024). Scalable quantum detector tomography by high-performance computing. Quantum Science and Technology, 10(1). https://doi.org/10.1088/2058-9565/ad8511 bibtex: '@article{Schapeler_Schade_Lass_Plessl_Bartley_2024, title={Scalable quantum detector tomography by high-performance computing}, volume={10}, DOI={10.1088/2058-9565/ad8511}, number={1}, journal={Quantum Science and Technology}, publisher={IOP Publishing}, author={Schapeler, Timon and Schade, Robert and Lass, Michael and Plessl, Christian and Bartley, Tim}, year={2024} }' chicago: Schapeler, Timon, Robert Schade, Michael Lass, Christian Plessl, and Tim Bartley. “Scalable Quantum Detector Tomography by High-Performance Computing.” Quantum Science and Technology 10, no. 1 (2024). https://doi.org/10.1088/2058-9565/ad8511. ieee: 'T. Schapeler, R. Schade, M. Lass, C. Plessl, and T. Bartley, “Scalable quantum detector tomography by high-performance computing,” Quantum Science and Technology, vol. 10, no. 1, 2024, doi: 10.1088/2058-9565/ad8511.' mla: Schapeler, Timon, et al. “Scalable Quantum Detector Tomography by High-Performance Computing.” Quantum Science and Technology, vol. 10, no. 1, IOP Publishing, 2024, doi:10.1088/2058-9565/ad8511. short: T. Schapeler, R. Schade, M. Lass, C. Plessl, T. Bartley, Quantum Science and Technology 10 (2024). date_created: 2024-04-04T08:43:18Z date_updated: 2025-12-16T11:32:12Z department: - _id: '27' - _id: '623' - _id: '15' doi: 10.1088/2058-9565/ad8511 external_id: arxiv: - '2404.02844' intvolume: ' 10' issue: '1' language: - iso: eng main_file_link: - open_access: '1' oa: '1' project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' - _id: '239' name: 'ERC-Grant: QuESADILLA: Quantum Engineering Superconducting Array Detectors in Low-Light Applications' - _id: '191' name: 'PhoQuant: Photonische Quantencomputer - Quantencomputing Testplattform' publication: Quantum Science and Technology publisher: IOP Publishing status: public title: Scalable quantum detector tomography by high-performance computing type: journal_article user_id: '55629' volume: 10 year: '2024' ... --- _id: '50172' 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." author: - first_name: Stephan full_name: Ochsenfeld, Stephan last_name: Ochsenfeld - first_name: Sören full_name: Schlichting, Sören last_name: Schlichting citation: ama: Ochsenfeld S, Schlichting S. Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory. arXiv:230804491. Published online 2023. apa: Ochsenfeld, S., & Schlichting, S. (2023). Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory. In arXiv:2308.04491. 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} }' chicago: Ochsenfeld, Stephan, and Sören Schlichting. “Hydrodynamic and Non-Hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory.” ArXiv:2308.04491, 2023. ieee: S. Ochsenfeld and S. Schlichting, “Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory,” arXiv:2308.04491. 2023. mla: Ochsenfeld, Stephan, and Sören Schlichting. “Hydrodynamic and Non-Hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory.” ArXiv:2308.04491, 2023. short: S. Ochsenfeld, S. Schlichting, ArXiv:2308.04491 (2023). date_created: 2024-01-04T08:47:38Z date_updated: 2024-01-04T08:47:47Z department: - _id: '27' external_id: arxiv: - '2308.04491' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: arXiv:2308.04491 status: public title: Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A Numerical Analysis in Scalar Field Theory type: preprint user_id: '67287' year: '2023' ...