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587 Publications
2026 | Conference Paper | LibreCat-ID: 63890
Stachura, Philip, Xin Wu, Christian Plessl, and Zhenman Fang. “SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry.” In Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26), 224–34. New York, NY, USA: Association for Computing Machinery, 2026. https://doi.org/10.1145/3748173.3779198.
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2026 | Conference Paper | LibreCat-ID: 65101
Tareen, Abdul Rehman, Christian Plessl, and Tobias Kenter. “Fast Multi-Tau Correlators on FPGA with Context Switching From and to High- Bandwidth Memory.” In 2025 International Conference on Field Programmable Technology (ICFPT). IEEE, 2026. https://doi.org/10.1109/icfpt67023.2025.00027.
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2026 | Journal Article | LibreCat-ID: 65629
Iannuzzi, Marcella, Jan Wilhelm, Frederick Stein, Augustin Bussy, Hossam Elgabarty, Dorothea Golze, Anna-Sophia Hehn, et al. “The CP2K Program Package Made Simple.” The Journal of Physical Chemistry B 130, no. 4 (2026): 1237–1310. https://doi.org/10.1021/acs.jpcb.5c05851.
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2025 | Preprint | LibreCat-ID: 64071
Wu, Xin, Hossam Elgabarty, Vahideh Alizadeh, Andres Henao Aristizabal, Frederik Zysk, Christian Plessl, Sebastian Ehlert, Jürg Hutter, and Thomas D. Kühne. “Benchmarking Semi-Empirical Quantum Chemical Methods on Liquid Water,” 2025.
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2025 | Journal Article | LibreCat-ID: 61246
Köcher, Nikolas, Hendrik Rose, Sachin S. Bharadwaj, Jörg Schumacher, and Stefan Schumacher. “Numerical Solution of Nonlinear Schrödinger Equation by a Hybrid Pseudospectral-Variational Quantum Algorithm.” Scientific Reports 15, no. 1 (2025). https://doi.org/10.1038/s41598-025-05660-3.
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2025 | Journal Article | LibreCat-ID: 61249
Ai, Qiang, Jan Wingenbach, Xinmiao Yang, Jing Wei, Zaharias Hatzopoulos, Pavlos G. Savvidis, Stefan Schumacher, Xuekai Ma, and Tingge Gao. “Optically and Remotely Controlling Localization of Exciton-Polariton Condensates in a Potential Lattice.” Physical Review Applied 23, no. 2 (2025). https://doi.org/10.1103/physrevapplied.23.024029.
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2025 | Journal Article | LibreCat-ID: 61351
Diederich, Jonathan, Agnieszka Paszuk, Isaac Azahel Ruiz Alvarado, Marvin Krenz, Mohammad Amin Zare Pour, Diwakar Suresh Babu, Jennifer Velazquez Rojas, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces 12, no. 16 (2025). https://doi.org/10.1002/admi.202500463.
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2025 | Journal Article | LibreCat-ID: 61356
Biktagirov, Timur, Uwe Gerstmann, and Wolf Gero Schmidt. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale 17, no. 11 (2025): 6884–91. https://doi.org/10.1039/d4nr03904a.
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2025 | Journal Article | LibreCat-ID: 58519
Kopylov, Denis A., Torsten Meier, and Polina R. Sharapova. “Theory of Multimode Squeezed Light Generation in Lossy Media.” Quantum 9 (2025). https://doi.org/10.22331/q-2025-02-04-1621.
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2025 | Journal Article | LibreCat-ID: 62034
Katbashev, Abylay, Robert Schade, Michael Laß, Marcel Müller, Stefan Grimme, Andreas Hansen, and Thomas Kühne. “Submatrix and GPU-Accelerated Implementation of Density Matrix Tight-Binding.” The Journal of Chemical Physics 163, no. 13 (2025). https://doi.org/10.1063/5.0271379.
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2025 | Journal Article | LibreCat-ID: 62064 | 
Büttner, Markus, Christoph Alt, Tobias Kenter, Harald Köstler, Christian Plessl, and Vadym Aizinger. “Analyzing Performance Portability for a SYCL Implementation of the 2D Shallow Water Equations.” The Journal of Supercomputing 81, no. 6 (2025). https://doi.org/10.1007/s11227-025-07063-7.
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2025 | Conference Paper | LibreCat-ID: 62066 |
Alt, Christoph, Christian Plessl, and Tobias Kenter. “Evaluating OneAPI I/O Pipes in a Case Study of Scaling a SYCL Jacobi Solver to Multiple FPGAs.” In Proceedings of the 13th International Workshop on OpenCL and SYCL. IWOCL ’25. New York, NY, USA: Association for Computing Machinery, 2025. https://doi.org/10.1145/3731125.3731131.
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2025 | Conference Paper | LibreCat-ID: 62065
Sundriyal, Shivam, Markus Büttner, Christoph Alt, Tobias Kenter, and Vadym Aizinger. “Adaptive Spectral Block Floating Point for Discontinuous Galerkin Methods.” In 2025 IEEE High Performance Extreme Computing Conference (HPEC). IEEE, 2025. https://doi.org/10.1109/hpec67600.2025.11196195.
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2025 | Journal Article | LibreCat-ID: 62862
Ai, Qiang, Xuekai Ma, Franziska Barkhausen, Xiaokun Zhai, Chunzi Xing, Xinmiao Yang, Peilin Wang, et al. “Tuning Polariton Vortices in an Asymmetric Ring Potential.” Applied Physics Letters 127, no. 12 (2025). https://doi.org/10.1063/5.0287076.
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2025 | Journal Article | LibreCat-ID: 60568 |
Bocchini, Adriana, S. Kollmann, Uwe Gerstmann, Wolf Gero Schmidt, and Guido Grundmeier. “Phosphonic Acid Adsorption on <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si23.Svg" Display="inline" Id="d1e564"><mml:Mi>α</Mml:Mi></Mml:Math>-Bi<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si24.Svg" Display="inline" Id="d1e569"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>2</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math>O<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si25.Svg" Display="inline" Id="d1e577"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>3</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math> Surfaces.” Surface Science 760 (2025). https://doi.org/10.1016/j.susc.2025.122776.
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2025 | Journal Article | LibreCat-ID: 61353
Franzke, Katharina L., Wolf Gero Schmidt, and Uwe Gerstmann. “Finite-Size and Relativistic Effects onto Hyperfine Interaction of Muonic Hydrogen.” Journal of Physics: Conference Series 3027, no. 1 (2025). https://doi.org/10.1088/1742-6596/3027/1/012001.
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2025 | Journal Article | LibreCat-ID: 60992
Wingenbach, Jan, Laura Ares Santos, Xuekai Ma, Jan Sperling, and Stefan Schumacher. “Sensitivity and Topology of Exceptional Rings in Nonlinear Non-Hermitian Planar Optical Microcavities.” Arxiv, 2025. https://doi.org/10.48550/ARXIV.2507.07099.
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2025 | Journal Article | LibreCat-ID: 62926
Patra, Atanu, Paul Konrad, Andreas Sperlich, Timur Biktagirov, Wolf Gero Schmidt, Lesley Spencer, Igor Aharonovich, Sven Höfling, and Vladimir Dyakonov. “Quantifying Spin Defect Density in HBN via Raman and Photoluminescence Analysis.” Advanced Functional Materials, 2025. https://doi.org/10.1002/adfm.202517851.
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2025 | Journal Article | LibreCat-ID: 63160
Rose, Hendrik, Stefan Schumacher, and Torsten Meier. “Microscopic Approach to the Quantized Light-Matter Interaction in Semiconductor Nanostructures: Complex Coupled Dynamics of Excitons, Biexcitons, and Photons.” Physical Review B 112, no. 24 (2025). https://doi.org/10.1103/528f-7smh.
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2025 | Journal Article | LibreCat-ID: 60298
Wingenbach, Jan, David Bauch, Xuekai Ma, Robert Schade, Christian Plessl, and Stefan Schumacher. “PHOENIX – Paderborn Highly Optimized and Energy Efficient Solver for Two-Dimensional Nonlinear Schrödinger Equations with Integrated Extensions.” Computer Physics Communications 315 (2025). https://doi.org/10.1016/j.cpc.2025.109689.
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