[{"department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"citation":{"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.","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} }","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","short":"F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 128 (2024) 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."},"publication_status":"published","intvolume":" 128","author":[{"last_name":"Bauch","first_name":"Fabian","full_name":"Bauch, Fabian"},{"full_name":"Dong, Chuan-Ding","first_name":"Chuan-Ding","last_name":"Dong"},{"id":"27271","last_name":"Schumacher","full_name":"Schumacher, Stefan","first_name":"Stefan","orcid":"0000-0003-4042-4951"}],"date_updated":"2025-09-12T11:27:57Z","_id":"61259","publication_identifier":{"issn":["1932-7447","1932-7455"]},"year":"2024","language":[{"iso":"eng"}],"status":"public","date_created":"2025-09-12T11:26:49Z","publisher":"American Chemical Society (ACS)","user_id":"16199","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1021/acs.jpcc.3c07513","title":"Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers","issue":"8","page":"3525-3532","volume":128,"type":"journal_article","publication":"The Journal of Physical Chemistry C"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"230"},{"_id":"27"}],"citation":{"short":"C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics 26 (2024) 4194–4199.","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.","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.","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"},"publication_status":"published","intvolume":" 26","author":[{"last_name":"Dong","first_name":"Chuan-Ding","full_name":"Dong, Chuan-Ding"},{"id":"61389","last_name":"Bauch","first_name":"Fabian","full_name":"Bauch, Fabian","orcid":"0009-0008-6279-077X"},{"last_name":"Hu","first_name":"Yuanyuan","full_name":"Hu, Yuanyuan"},{"orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan","first_name":"Stefan","last_name":"Schumacher","id":"27271"}],"date_updated":"2025-09-12T11:30:40Z","_id":"61263","year":"2024","publication_identifier":{"issn":["1463-9076","1463-9084"]},"language":[{"iso":"eng"}],"status":"public","date_created":"2025-09-12T11:29:33Z","publisher":"Royal Society of Chemistry (RSC)","user_id":"16199","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"abstract":[{"text":"Charge transfer mechanism in the deprotonation-induced n-type doping of PCBM.","lang":"eng"}],"doi":"10.1039/d3cp05105f","title":"Charge transfer in superbase n-type doping of PCBM induced by deprotonation","issue":"5","page":"4194-4199","volume":26,"type":"journal_article","publication":"Physical Chemistry Chemical Physics"},{"_id":"61357","date_updated":"2025-09-18T11:34:21Z","publisher":"American Chemical Society (ACS)","date_created":"2025-09-18T11:32:33Z","status":"public","year":"2024","publication_identifier":{"issn":["1932-7447","1932-7455"]},"language":[{"iso":"eng"}],"publication_status":"published","citation":{"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","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","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.","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} }","short":"M. Krenz, S. Sanna, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry C 128 (2024) 17774–17778."},"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"27"}],"author":[{"last_name":"Krenz","full_name":"Krenz, Marvin","first_name":"Marvin"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","id":"171","orcid":"0000-0002-4476-223X"},{"id":"468","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"}],"intvolume":" 128","volume":128,"page":"17774-17778","issue":"41","publication":"The Journal of Physical Chemistry C","type":"journal_article","user_id":"16199","title":"Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells","doi":"10.1021/acs.jpcc.4c05446","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*)"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1007/978-3-031-69766-1_9","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."}],"title":"Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL","main_file_link":[{"open_access":"1"}],"user_id":"3145","oa":"1","type":"book_chapter","publication":"Lecture Notes in Computer Science","quality_controlled":"1","place":"Cham","author":[{"last_name":"Meyer","id":"40778","first_name":"Marius","full_name":"Meyer, Marius"},{"first_name":"Tobias","full_name":"Kenter, Tobias","id":"3145","last_name":"Kenter"},{"full_name":"Petrica, Lucian","first_name":"Lucian","last_name":"Petrica"},{"last_name":"O’Brien","first_name":"Kenneth","full_name":"O’Brien, Kenneth"},{"last_name":"Blott","first_name":"Michaela","full_name":"Blott, Michaela"},{"first_name":"Christian","full_name":"Plessl, Christian","last_name":"Plessl","id":"16153","orcid":"0000-0001-5728-9982"}],"department":[{"_id":"27"},{"_id":"518"}],"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","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.","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} }","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."},"publication_status":"published","language":[{"iso":"eng"}],"year":"2024","publication_identifier":{"issn":["0302-9743","1611-3349"],"isbn":["9783031697654","9783031697661"]},"status":"public","date_created":"2025-11-04T09:50:24Z","publisher":"Springer Nature Switzerland","date_updated":"2025-11-04T09:51:22Z","_id":"62067"},{"publication_status":"published","citation":{"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.","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","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","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.","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.","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} }"},"department":[{"_id":"27"},{"_id":"518"}],"author":[{"last_name":"Van Hirtum","id":"100210","full_name":"Van Hirtum, Lennart","first_name":"Lennart"},{"full_name":"De Causmaecker, Patrick","first_name":"Patrick","last_name":"De Causmaecker"},{"first_name":"Jens","full_name":"Goemaere, Jens","last_name":"Goemaere"},{"full_name":"Kenter, Tobias","first_name":"Tobias","id":"3145","last_name":"Kenter"},{"last_name":"Riebler","id":"8961","first_name":"Heinrich","full_name":"Riebler, Heinrich"},{"last_name":"Lass","id":"24135","first_name":"Michael","full_name":"Lass, Michael","orcid":"0000-0002-5708-7632"},{"orcid":"0000-0001-5728-9982","first_name":"Christian","full_name":"Plessl, Christian","last_name":"Plessl","id":"16153"}],"intvolume":" 17","_id":"56604","date_updated":"2025-11-04T09:53:26Z","publisher":"Association for Computing Machinery (ACM)","date_created":"2024-10-14T07:38:29Z","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["1936-7406","1936-7414"]},"year":"2024","main_file_link":[{"open_access":"1"}],"user_id":"3145","oa":"1","title":"A Computation of the Ninth Dedekind Number Using FPGA Supercomputing","doi":"10.1145/3674147","abstract":[{"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.","lang":"eng"}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"volume":17,"page":"1-28","issue":"3","quality_controlled":"1","publication":"ACM Transactions on Reconfigurable Technology and Systems","type":"journal_article"},{"citation":{"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.","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} }","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","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.","short":"K. Olgu, T. Kenter, J. Nunez-Yanez, S. Mcintosh-Smith, in: Proceedings of the 12th International Workshop on OpenCL and SYCL, ACM, 2024.","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."},"user_id":"3145","publication_status":"published","department":[{"_id":"27"},{"_id":"518"}],"title":"Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms to Describing Architectures","author":[{"last_name":"Olgu","first_name":"Kaan","full_name":"Olgu, Kaan"},{"id":"3145","last_name":"Kenter","full_name":"Kenter, Tobias","first_name":"Tobias"},{"full_name":"Nunez-Yanez, Jose","first_name":"Jose","last_name":"Nunez-Yanez"},{"last_name":"Mcintosh-Smith","full_name":"Mcintosh-Smith, Simon","first_name":"Simon"}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1145/3648115.3648134","_id":"53503","date_updated":"2025-11-04T09:53:59Z","publication":"Proceedings of the 12th International Workshop on OpenCL and SYCL","quality_controlled":"1","date_created":"2024-04-15T07:41:21Z","publisher":"ACM","type":"conference","year":"2024","language":[{"iso":"eng"}],"status":"public"},{"author":[{"last_name":"Zhang","first_name":"Hongdan","full_name":"Zhang, Hongdan"},{"last_name":"Zuo","full_name":"Zuo, Ruixin","first_name":"Ruixin"},{"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"},{"id":"344","last_name":"Meier","full_name":"Meier, Torsten","first_name":"Torsten","orcid":"0000-0001-8864-2072"},{"full_name":"Yang, Weifeng","first_name":"Weifeng","last_name":"Yang"}],"title":"Analyzing High-Order Harmonic Generation in Solids Based on Semi-Classical Recollision Models","doi":"10.1142/9789811279560_0006","project":[{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"_id":"56","name":"TRR 142 - Project Area C"},{"name":"TRR 142 ; TP: C10: Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse","_id":"174"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication_status":"published","user_id":"16199","citation":{"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","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","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.","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} }","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."},"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"},{"_id":"429"},{"_id":"27"}],"publisher":"WORLD SCIENTIFIC","date_created":"2025-12-05T09:42:23Z","publication":"High-Order Harmonic Generation in Solids","status":"public","language":[{"iso":"eng"}],"type":"book_chapter","publication_identifier":{"isbn":["9789811279553","9789811279560"]},"year":"2024","_id":"62916","date_updated":"2025-12-05T09:43:37Z"},{"date_updated":"2025-12-05T09:45:31Z","_id":"62917","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"isbn":["9789811279553","9789811279560"]},"year":"2024","type":"book_chapter","publisher":"WORLD SCIENTIFIC","date_created":"2025-12-05T09:44:20Z","publication":"High-Order Harmonic Generation in Solids","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"publication_status":"published","user_id":"16199","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","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.","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.","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} }","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."},"doi":"10.1142/9789811279560_0009","project":[{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - Project Area C","_id":"56"},{"name":"TRR 142 ; TP: C10: Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse","_id":"174"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"author":[{"last_name":"Reichelt","id":"138","full_name":"Reichelt, Matthias","first_name":"Matthias"},{"first_name":"Ruixin","full_name":"Zuo, Ruixin","last_name":"Zuo"},{"full_name":"Song, Xiaohong","first_name":"Xiaohong","last_name":"Song"},{"last_name":"Yang","full_name":"Yang, Weifeng","first_name":"Weifeng"},{"first_name":"Torsten","full_name":"Meier, Torsten","id":"344","last_name":"Meier","orcid":"0000-0001-8864-2072"}],"title":"High-Order Harmonic Generation in Semiconductors with Excitonic Effects"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.5281/ZENODO.11935146","title":"Floquet dynamics of ultracold atoms in optical lattices with a parametrically modulated trapping potential","author":[{"orcid":"0000-0001-8864-2072","id":"344","last_name":"Meier","full_name":"Meier, Torsten","first_name":"Torsten"},{"last_name":"Ali","first_name":"Usman","full_name":"Ali, Usman"},{"last_name":"Holthaus","first_name":"Martin","full_name":"Holthaus, Martin"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"citation":{"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.","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} }","short":"T. Meier, U. Ali, M. Holthaus, Floquet Dynamics of Ultracold Atoms in Optical Lattices with a Parametrically Modulated Trapping Potential, LibreCat University, 2024.","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","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."},"user_id":"16199","year":"2024","type":"research_data","status":"public","date_created":"2025-12-05T09:41:14Z","publisher":"LibreCat University","date_updated":"2025-12-05T09:42:11Z","_id":"62915"},{"status":"public","year":"2024","publication_identifier":{"issn":["0953-8984","1361-648X"]},"type":"journal_article","language":[{"iso":"eng"}],"publisher":"IOP Publishing","publication":"Journal of Physics: Condensed Matter","date_created":"2025-07-09T13:40:51Z","date_updated":"2025-12-05T13:35:44Z","issue":"7","article_number":"075001","volume":37,"_id":"60581","abstract":[{"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.","lang":"eng"}],"doi":"10.1088/1361-648x/ad9725","intvolume":" 37","project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"_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*)"}],"author":[{"first_name":"Isaac Azahel","full_name":"Ruiz Alvarado, Isaac Azahel","last_name":"Ruiz Alvarado","id":"79462","orcid":"0000-0002-4710-1170"},{"first_name":"Christian","full_name":"Dreßler, Christian","last_name":"Dreßler"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"}],"title":"Band alignment at InP/TiO2 interfaces from density-functional theory","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"user_id":"16199","publication_status":"published","citation":{"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.","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.","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","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","short":"I.A. Ruiz Alvarado, C. Dreßler, W.G. Schmidt, Journal of Physics: Condensed Matter 37 (2024).","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} }","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."}},{"status":"public","type":"journal_article","year":"2024","publication_identifier":{"issn":["1613-6810","1613-6829"]},"language":[{"iso":"eng"}],"publisher":"Wiley","publication":"Small","date_created":"2024-06-24T09:46:25Z","date_updated":"2025-12-05T13:39:01Z","_id":"54868","doi":"10.1002/smll.202311635","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."}],"project":[{"_id":"53","name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"author":[{"first_name":"Maja","full_name":"Groll, Maja","last_name":"Groll"},{"first_name":"Julius","full_name":"Bürger, Julius","id":"46952","last_name":"Bürger"},{"full_name":"Caltzidis, Ioannis","first_name":"Ioannis","id":"87911","last_name":"Caltzidis"},{"full_name":"Jöns, Klaus D.","first_name":"Klaus D.","last_name":"Jöns","id":"85353"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","id":"468"},{"orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","id":"171"},{"first_name":"Jörg K. N.","full_name":"Lindner, Jörg K. N.","id":"20797","last_name":"Lindner"}],"article_type":"original","title":"DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"642"},{"_id":"286"},{"_id":"429"},{"_id":"230"},{"_id":"27"},{"_id":"35"},{"_id":"169"}],"user_id":"16199","publication_status":"published","citation":{"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.","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","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","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} }","short":"M. Groll, J. Bürger, I. Caltzidis, K.D. Jöns, W.G. Schmidt, U. Gerstmann, J.K.N. Lindner, Small (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."}},{"citation":{"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.","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} }","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).","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","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."},"user_id":"16199","publication_status":"published","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"article_type":"original","title":"Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface","author":[{"last_name":"Diederich","first_name":"Jonathan","full_name":"Diederich, Jonathan"},{"last_name":"Rojas","first_name":"Jennifer Velazquez","full_name":"Rojas, Jennifer Velazquez"},{"last_name":"Paszuk","full_name":"Paszuk, Agnieszka","first_name":"Agnieszka"},{"last_name":"Pour","first_name":"Mohammad Amin Zare","full_name":"Pour, Mohammad Amin Zare"},{"first_name":"Christian","full_name":"Höhn, Christian","last_name":"Höhn"},{"last_name":"Ruiz Alvarado","id":"79462","full_name":"Ruiz Alvarado, Isaac Azahel","first_name":"Isaac Azahel","orcid":"0000-0002-4710-1170"},{"full_name":"Schwarzburg, Klaus","first_name":"Klaus","last_name":"Schwarzburg"},{"last_name":"Ostheimer","full_name":"Ostheimer, David","first_name":"David"},{"first_name":"Rainer","full_name":"Eichberger, Rainer","last_name":"Eichberger"},{"id":"468","last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076"},{"last_name":"Hannappel","first_name":"Thomas","full_name":"Hannappel, Thomas"},{"last_name":"van de Krol","full_name":"van de Krol, Roel","first_name":"Roel"},{"full_name":"Friedrich, Dennis","first_name":"Dennis","last_name":"Friedrich"}],"intvolume":" 34","abstract":[{"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.","lang":"eng"}],"doi":"10.1002/adfm.202409455","_id":"60582","volume":34,"date_updated":"2025-12-05T13:39:54Z","issue":"49","publication":"Advanced Functional Materials","date_created":"2025-07-09T13:47:37Z","publisher":"Wiley","publication_identifier":{"issn":["1616-301X","1616-3028"]},"year":"2024","type":"journal_article","language":[{"iso":"eng"}],"status":"public"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"230"},{"_id":"429"},{"_id":"27"},{"_id":"35"}],"citation":{"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.","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","short":"K. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 2701 (2024).","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.","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} }"},"publication_status":"published","intvolume":" 2701","author":[{"first_name":"Katharina","full_name":"Franzke, Katharina","last_name":"Franzke"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt"},{"orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","first_name":"Uwe","id":"171","last_name":"Gerstmann"}],"date_updated":"2025-12-05T13:36:01Z","_id":"54856","publication_identifier":{"issn":["1742-6588","1742-6596"]},"year":"2024","language":[{"iso":"eng"}],"status":"public","date_created":"2024-06-24T06:26:02Z","publisher":"IOP Publishing","user_id":"16199","project":[{"name":"TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"name":"TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)","_id":"168"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1088/1742-6596/2701/1/012094","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."}],"title":"Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures","article_number":"012094","issue":"1","volume":2701,"type":"journal_article","publication":"Journal of Physics: Conference Series"},{"author":[{"last_name":"Diederich","first_name":"Jonathan","full_name":"Diederich, Jonathan"},{"last_name":"Velasquez Rojas","first_name":"Jennifer","full_name":"Velasquez Rojas, Jennifer"},{"first_name":"Mohammad Amin","full_name":"Zare Pour, Mohammad Amin","last_name":"Zare Pour"},{"last_name":"Ruiz Alvarado","id":"79462","first_name":"Isaac Azahel","full_name":"Ruiz Alvarado, Isaac Azahel","orcid":"0000-0002-4710-1170"},{"first_name":"Agnieszka","full_name":"Paszuk, Agnieszka","last_name":"Paszuk"},{"last_name":"Sciotto","full_name":"Sciotto, Rachele","first_name":"Rachele"},{"last_name":"Höhn","full_name":"Höhn, Christian","first_name":"Christian"},{"first_name":"Klaus","full_name":"Schwarzburg, Klaus","last_name":"Schwarzburg"},{"last_name":"Ostheimer","full_name":"Ostheimer, David","first_name":"David"},{"first_name":"Rainer","full_name":"Eichberger, Rainer","last_name":"Eichberger"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"last_name":"Hannappel","full_name":"Hannappel, Thomas","first_name":"Thomas"},{"last_name":"van de Krol","first_name":"Roel","full_name":"van de Krol, Roel"},{"full_name":"Friedrich, Dennis","first_name":"Dennis","last_name":"Friedrich"}],"intvolume":" 146","citation":{"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.","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","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","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.","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.","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} }"},"publication_status":"published","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"date_created":"2024-06-24T09:42:46Z","publisher":"American Chemical Society (ACS)","publication_identifier":{"issn":["0002-7863","1520-5126"]},"year":"2024","language":[{"iso":"eng"}],"status":"public","_id":"54866","date_updated":"2025-12-05T13:37:59Z","title":"Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1021/jacs.3c12487","user_id":"16199","publication":"Journal of the American Chemical Society","type":"journal_article","page":"8949-8960","volume":146,"issue":"13"},{"volume":7,"page":"79-87","issue":"1","publication":"Surfaces","type":"journal_article","user_id":"16199","title":"Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties","doi":"10.3390/surfaces7010006","abstract":[{"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.","lang":"eng"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"54855","date_updated":"2025-12-05T13:36:19Z","publisher":"MDPI AG","date_created":"2024-06-24T06:24:26Z","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["2571-9637"]},"year":"2024","publication_status":"published","citation":{"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.","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} }","short":"R. Sciotto, I.A. Ruiz Alvarado, W.G. Schmidt, Surfaces 7 (2024) 79–87.","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","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."},"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"author":[{"full_name":"Sciotto, Rachele","first_name":"Rachele","last_name":"Sciotto"},{"orcid":"0000-0002-4710-1170","first_name":"Isaac Azahel","full_name":"Ruiz Alvarado, Isaac Azahel","last_name":"Ruiz Alvarado","id":"79462"},{"orcid":"0000-0002-2717-5076","id":"468","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"}],"intvolume":" 7"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"27"},{"_id":"35"}],"publication_status":"published","user_id":"16199","citation":{"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).","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} }","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.","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.","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.","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"},"doi":"10.1016/j.surfrep.2024.100629","intvolume":" 79","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"author":[{"first_name":"H.","full_name":"Pfnür, H.","last_name":"Pfnür"},{"first_name":"C.","full_name":"Tegenkamp, C.","last_name":"Tegenkamp"},{"last_name":"Sanna","first_name":"S.","full_name":"Sanna, S."},{"last_name":"Jeckelmann","full_name":"Jeckelmann, E.","first_name":"E."},{"first_name":"M.","full_name":"Horn-von Hoegen, M.","last_name":"Horn-von Hoegen"},{"last_name":"Bovensiepen","full_name":"Bovensiepen, U.","first_name":"U."},{"first_name":"N.","full_name":"Esser, N.","last_name":"Esser"},{"last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"last_name":"Dähne","full_name":"Dähne, M.","first_name":"M."},{"full_name":"Wippermann, S.","first_name":"S.","last_name":"Wippermann"},{"first_name":"F.","full_name":"Bechstedt, F.","last_name":"Bechstedt"},{"last_name":"Bode","full_name":"Bode, M.","first_name":"M."},{"last_name":"Claessen","first_name":"R.","full_name":"Claessen, R."},{"last_name":"Ernstorfer","first_name":"R.","full_name":"Ernstorfer, R."},{"full_name":"Hogan, C.","first_name":"C.","last_name":"Hogan"},{"last_name":"Ligges","first_name":"M.","full_name":"Ligges, M."},{"first_name":"A.","full_name":"Pucci, A.","last_name":"Pucci"},{"full_name":"Schäfer, J.","first_name":"J.","last_name":"Schäfer"},{"first_name":"E.","full_name":"Speiser, E.","last_name":"Speiser"},{"last_name":"Wolf","first_name":"M.","full_name":"Wolf, M."},{"last_name":"Wollschläger","first_name":"J.","full_name":"Wollschläger, J."}],"title":"Atomic wires on substrates: Physics between one and two dimensions","issue":"2","date_updated":"2025-12-05T13:36:47Z","article_number":"100629","volume":79,"_id":"54869","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0167-5729"]},"year":"2024","type":"journal_article","publisher":"Elsevier BV","date_created":"2024-06-24T09:50:37Z","publication":"Surface Science Reports"},{"year":"2024","publication_identifier":{"issn":["0031-9007","1079-7114"]},"type":"journal_article","language":[{"iso":"eng"}],"status":"public","publication":"Physical Review Letters","date_created":"2024-06-24T09:39:42Z","publisher":"American Physical Society (APS)","article_number":"076201","date_updated":"2025-12-05T13:38:22Z","issue":"7","_id":"54865","volume":132,"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"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1103/physrevlett.132.076201","intvolume":" 132","title":"Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface","author":[{"last_name":"Krenz","id":"52309","full_name":"Krenz, Marvin","first_name":"Marvin"},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","id":"171"},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"429"},{"_id":"27"},{"_id":"230"},{"_id":"35"}],"citation":{"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.","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","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","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.","short":"M. Krenz, U. Gerstmann, W.G. Schmidt, Physical Review Letters 132 (2024).","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."},"user_id":"16199","publication_status":"published"},{"title":"Time-bin entanglement in the deterministic generation of linear photonic cluster states","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142; TP C09: Ideale Erzeugung von Photonenpaaren für Verschränkungsaustausch bei Telekom Wellenlängen","_id":"173"},{"name":"PhoQC: Photonisches Quantencomputing","_id":"266"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"name":"TRR 142 - Project Area C","_id":"56"}],"doi":"10.1063/5.0214197","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."}],"user_id":"16199","publication":"APL Quantum","type":"journal_article","volume":1,"article_number":"036110","issue":"3","author":[{"last_name":"Bauch","first_name":"David","full_name":"Bauch, David"},{"id":"79191","last_name":"Köcher","first_name":"Nikolas","full_name":"Köcher, Nikolas"},{"orcid":"0009-0006-0984-2097","id":"90283","last_name":"Heinisch","first_name":"Nils","full_name":"Heinisch, Nils"},{"orcid":"0000-0003-4042-4951","last_name":"Schumacher","id":"27271","first_name":"Stefan","full_name":"Schumacher, Stefan"}],"intvolume":" 1","citation":{"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} }","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).","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","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.","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."},"publication_status":"published","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"35"},{"_id":"27"},{"_id":"429"},{"_id":"230"},{"_id":"623"}],"date_created":"2025-12-04T12:35:53Z","publisher":"AIP Publishing","language":[{"iso":"eng"}],"year":"2024","publication_identifier":{"issn":["2835-0103"]},"status":"public","_id":"62868","date_updated":"2025-12-05T13:55:00Z"},{"issue":"1","volume":10,"type":"journal_article","publication":"Quantum Science and Technology","external_id":{"arxiv":["2404.02844"]},"main_file_link":[{"open_access":"1"}],"oa":"1","user_id":"55629","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"ERC-Grant: QuESADILLA: Quantum Engineering Superconducting Array Detectors in Low-Light Applications","_id":"239"},{"name":"PhoQuant: Photonische Quantencomputer - Quantencomputing Testplattform","_id":"191"}],"doi":"10.1088/2058-9565/ad8511","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."}],"title":"Scalable quantum detector tomography by high-performance computing","date_updated":"2025-12-16T11:32:12Z","_id":"53202","language":[{"iso":"eng"}],"year":"2024","status":"public","date_created":"2024-04-04T08:43:18Z","publisher":"IOP Publishing","department":[{"_id":"27"},{"_id":"623"},{"_id":"15"}],"citation":{"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","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","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.","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.","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} }","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)."},"intvolume":" 10","author":[{"orcid":"0000-0001-7652-1716","id":"55629","last_name":"Schapeler","full_name":"Schapeler, Timon","first_name":"Timon"},{"orcid":"0000-0002-6268-5397","last_name":"Schade","id":"75963","first_name":"Robert","full_name":"Schade, Robert"},{"id":"24135","last_name":"Lass","full_name":"Lass, Michael","first_name":"Michael","orcid":"0000-0002-5708-7632"},{"full_name":"Plessl, Christian","first_name":"Christian","last_name":"Plessl","id":"16153","orcid":"0000-0001-5728-9982"},{"first_name":"Tim","full_name":"Bartley, Tim","last_name":"Bartley","id":"49683"}]},{"user_id":"67287","citation":{"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.","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.","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.","short":"S. Ochsenfeld, S. Schlichting, 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.","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} }"},"external_id":{"arxiv":["2308.04491"]},"department":[{"_id":"27"}],"author":[{"last_name":"Ochsenfeld","full_name":"Ochsenfeld, Stephan","first_name":"Stephan"},{"first_name":"Sören","full_name":"Schlichting, Sören","last_name":"Schlichting"}],"title":"Hydrodynamic and Non-hydrodynamic Excitations in Kinetic Theory -- A Numerical Analysis in Scalar Field Theory","abstract":[{"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.","lang":"eng"}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"50172","date_updated":"2024-01-04T08:47:47Z","publication":"arXiv:2308.04491","date_created":"2024-01-04T08:47:38Z","status":"public","type":"preprint","year":"2023","language":[{"iso":"eng"}]}]