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587 Publications
2026 | Conference Paper | LibreCat-ID: 63890
P. Stachura, X. Wu, C. Plessl, and Z. 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), 2026, pp. 224–234, doi: 10.1145/3748173.3779198.
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2026 | Conference Paper | LibreCat-ID: 65101
A. R. Tareen, C. Plessl, and T. Kenter, “Fast Multi-Tau Correlators on FPGA with Context Switching From and to High- Bandwidth Memory,” 2026, doi: 10.1109/icfpt67023.2025.00027.
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2026 | Journal Article | LibreCat-ID: 65629
M. Iannuzzi et al., “The CP2K Program Package Made Simple,” The Journal of Physical Chemistry B, vol. 130, no. 4, pp. 1237–1310, 2026, doi: 10.1021/acs.jpcb.5c05851.
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2025 | Preprint | LibreCat-ID: 64071
X. Wu et al., “Benchmarking semi-empirical quantum chemical methods on liquid water.” 2025.
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2025 | Journal Article | LibreCat-ID: 61246
N. Köcher, H. Rose, S. S. Bharadwaj, J. Schumacher, and S. Schumacher, “Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm,” Scientific Reports, vol. 15, no. 1, Art. no. 23478, 2025, doi: 10.1038/s41598-025-05660-3.
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2025 | Journal Article | LibreCat-ID: 61249
Q. Ai et al., “Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice,” Physical Review Applied, vol. 23, no. 2, Art. no. 024029, 2025, doi: 10.1103/physrevapplied.23.024029.
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2025 | Journal Article | LibreCat-ID: 61351
J. Diederich et al., “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface,” Advanced Materials Interfaces, vol. 12, no. 16, Art. no. e00463, 2025, doi: 10.1002/admi.202500463.
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2025 | Journal Article | LibreCat-ID: 61356
T. Biktagirov, U. Gerstmann, and W. G. Schmidt, “Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters,” Nanoscale, vol. 17, no. 11, pp. 6884–6891, 2025, doi: 10.1039/d4nr03904a.
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2025 | Journal Article | LibreCat-ID: 58519
D. A. Kopylov, T. Meier, and P. R. Sharapova, “Theory of Multimode Squeezed Light Generation in Lossy Media,” Quantum, vol. 9, Art. no. 1621, 2025, doi: 10.22331/q-2025-02-04-1621.
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2025 | Journal Article | LibreCat-ID: 62034
A. Katbashev et al., “Submatrix and GPU-accelerated implementation of density matrix tight-binding,” The Journal of Chemical Physics, vol. 163, no. 13, Art. no. 132501, 2025, doi: 10.1063/5.0271379.
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2025 | Journal Article | LibreCat-ID: 62064 | 
M. Büttner, C. Alt, T. Kenter, H. Köstler, C. Plessl, and V. Aizinger, “Analyzing performance portability for a SYCL implementation of the 2D shallow water equations,” The Journal of Supercomputing, vol. 81, no. 6, Art. no. 772, 2025, doi: 10.1007/s11227-025-07063-7.
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2025 | Conference Paper | LibreCat-ID: 62066 |
C. Alt, C. Plessl, and T. Kenter, “Evaluating oneAPI I/O Pipes in a Case Study of Scaling a SYCL Jacobi Solver to multiple FPGAs,” 2025, doi: 10.1145/3731125.3731131.
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2025 | Conference Paper | LibreCat-ID: 62065
S. Sundriyal, M. Büttner, C. Alt, T. Kenter, and V. Aizinger, “Adaptive Spectral Block Floating Point for Discontinuous Galerkin Methods,” 2025, doi: 10.1109/hpec67600.2025.11196195.
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2025 | Journal Article | LibreCat-ID: 62862
Q. Ai et al., “Tuning polariton vortices in an asymmetric ring potential,” Applied Physics Letters, vol. 127, no. 12, Art. no. 121103, 2025, doi: 10.1063/5.0287076.
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2025 | Journal Article | LibreCat-ID: 60568 |
A. Bocchini, S. Kollmann, U. Gerstmann, W. G. Schmidt, and G. 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, vol. 760, Art. no. 122776, 2025, doi: 10.1016/j.susc.2025.122776.
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2025 | Journal Article | LibreCat-ID: 61353
K. L. Franzke, W. G. Schmidt, and U. Gerstmann, “Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen,” Journal of Physics: Conference Series, vol. 3027, no. 1, Art. no. 012001, 2025, doi: 10.1088/1742-6596/3027/1/012001.
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2025 | Journal Article | LibreCat-ID: 60992
J. Wingenbach, L. Ares Santos, X. Ma, J. Sperling, and S. Schumacher, “Sensitivity and Topology of Exceptional Rings in Nonlinear Non-Hermitian Planar Optical Microcavities,” Arxiv, 2025, doi: 10.48550/ARXIV.2507.07099.
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2025 | Journal Article | LibreCat-ID: 62926
A. Patra et al., “Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis,” Advanced Functional Materials, Art. no. e17851, 2025, doi: 10.1002/adfm.202517851.
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2025 | Journal Article | LibreCat-ID: 63160
H. Rose, S. Schumacher, and T. Meier, “Microscopic approach to the quantized light-matter interaction in semiconductor nanostructures: Complex coupled dynamics of excitons, biexcitons, and photons,” Physical Review B, vol. 112, no. 24, Art. no. 245304, 2025, doi: 10.1103/528f-7smh.
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2025 | Journal Article | LibreCat-ID: 60298
J. Wingenbach, D. Bauch, X. Ma, R. Schade, C. Plessl, and S. Schumacher, “PHOENIX – Paderborn highly optimized and energy efficient solver for two-dimensional nonlinear Schrödinger equations with integrated extensions,” Computer Physics Communications, vol. 315, Art. no. 109689, 2025, doi: 10.1016/j.cpc.2025.109689.
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