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587 Publications
2026 | Conference Paper | LibreCat-ID: 63890
SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry
P. Stachura, X. Wu, C. Plessl, Z. Fang, in: Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26), Association for Computing Machinery, New York, NY, USA, 2026, pp. 224–234.
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P. Stachura, X. Wu, C. Plessl, Z. Fang, in: Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA ’26), Association for Computing Machinery, New York, NY, USA, 2026, pp. 224–234.
2026 | Conference Paper | LibreCat-ID: 65101
Fast Multi-Tau Correlators on FPGA with Context Switching From and to High- Bandwidth Memory
A.R. Tareen, C. Plessl, T. Kenter, in: 2025 International Conference on Field Programmable Technology (ICFPT), IEEE, 2026.
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A.R. Tareen, C. Plessl, T. Kenter, in: 2025 International Conference on Field Programmable Technology (ICFPT), IEEE, 2026.
2026 | Journal Article | LibreCat-ID: 65629
The CP2K Program Package Made Simple
M. Iannuzzi, J. Wilhelm, F. Stein, A. Bussy, H. Elgabarty, D. Golze, A.-S. Hehn, M. Graml, S. Marek, B.S. Gökmen, C. Schran, H. Forbert, R.Z. Khaliullin, A. Kozhevnikov, M. Taillefumier, R. Meli, V.V. Rybkin, M. Brehm, R. Schade, O. Schütt, J.V. Pototschnig, H. Mirhosseini, A. Knüpfer, D. Marx, M. Krack, J. Hutter, T.D. Kühne, The Journal of Physical Chemistry B 130 (2026) 1237–1310.
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M. Iannuzzi, J. Wilhelm, F. Stein, A. Bussy, H. Elgabarty, D. Golze, A.-S. Hehn, M. Graml, S. Marek, B.S. Gökmen, C. Schran, H. Forbert, R.Z. Khaliullin, A. Kozhevnikov, M. Taillefumier, R. Meli, V.V. Rybkin, M. Brehm, R. Schade, O. Schütt, J.V. Pototschnig, H. Mirhosseini, A. Knüpfer, D. Marx, M. Krack, J. Hutter, T.D. Kühne, The Journal of Physical Chemistry B 130 (2026) 1237–1310.
2025 | Preprint | LibreCat-ID: 64071
Benchmarking semi-empirical quantum chemical methods on liquid water
X. Wu, H. Elgabarty, V. Alizadeh, A. Henao Aristizabal, F. Zysk, C. Plessl, S. Ehlert, J. Hutter, T.D. Kühne, (2025).
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X. Wu, H. Elgabarty, V. Alizadeh, A. Henao Aristizabal, F. Zysk, C. Plessl, S. Ehlert, J. Hutter, T.D. Kühne, (2025).
2025 | Journal Article | LibreCat-ID: 61246
Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm
N. Köcher, H. Rose, S.S. Bharadwaj, J. Schumacher, S. Schumacher, Scientific Reports 15 (2025).
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N. Köcher, H. Rose, S.S. Bharadwaj, J. Schumacher, S. Schumacher, Scientific Reports 15 (2025).
2025 | Journal Article | LibreCat-ID: 61249
Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice
Q. Ai, J. Wingenbach, X. Yang, J. Wei, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, X. Ma, T. Gao, Physical Review Applied 23 (2025).
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Q. Ai, J. Wingenbach, X. Yang, J. Wei, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, X. Ma, T. Gao, Physical Review Applied 23 (2025).
2025 | Journal Article | LibreCat-ID: 61351
Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface
J. Diederich, A. Paszuk, I.A. Ruiz Alvarado, M. Krenz, M.A. Zare Pour, D.S. Babu, J. Velazquez Rojas, C. Höhn, Y. Gao, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Materials Interfaces 12 (2025).
LibreCat
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J. Diederich, A. Paszuk, I.A. Ruiz Alvarado, M. Krenz, M.A. Zare Pour, D.S. Babu, J. Velazquez Rojas, C. Höhn, Y. Gao, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Materials Interfaces 12 (2025).
2025 | Journal Article | LibreCat-ID: 61356
Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters
T. Biktagirov, U. Gerstmann, W.G. Schmidt, Nanoscale 17 (2025) 6884–6891.
LibreCat
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T. Biktagirov, U. Gerstmann, W.G. Schmidt, Nanoscale 17 (2025) 6884–6891.
2025 | Journal Article | LibreCat-ID: 58519
Theory of Multimode Squeezed Light Generation in Lossy Media
D.A. Kopylov, T. Meier, P.R. Sharapova, Quantum 9 (2025).
LibreCat
| DOI
D.A. Kopylov, T. Meier, P.R. Sharapova, Quantum 9 (2025).
2025 | Journal Article | LibreCat-ID: 62034
Submatrix and GPU-accelerated implementation of density matrix tight-binding
A. Katbashev, R. Schade, M. Laß, M. Müller, S. Grimme, A. Hansen, T. Kühne, The Journal of Chemical Physics 163 (2025).
LibreCat
| DOI
A. Katbashev, R. Schade, M. Laß, M. Müller, S. Grimme, A. Hansen, T. Kühne, The Journal of Chemical Physics 163 (2025).
2025 | Journal Article | LibreCat-ID: 62064 | 
Analyzing performance portability for a SYCL implementation of the 2D shallow water equations
M. Büttner, C. Alt, T. Kenter, H. Köstler, C. Plessl, V. Aizinger, The Journal of Supercomputing 81 (2025).
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M. Büttner, C. Alt, T. Kenter, H. Köstler, C. Plessl, V. Aizinger, The Journal of Supercomputing 81 (2025).
2025 | Conference Paper | LibreCat-ID: 62066 |
Evaluating oneAPI I/O Pipes in a Case Study of Scaling a SYCL Jacobi Solver to multiple FPGAs
C. Alt, C. Plessl, T. Kenter, in: Proceedings of the 13th International Workshop on OpenCL and SYCL, Association for Computing Machinery, New York, NY, USA, 2025.
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C. Alt, C. Plessl, T. Kenter, in: Proceedings of the 13th International Workshop on OpenCL and SYCL, Association for Computing Machinery, New York, NY, USA, 2025.
2025 | Conference Paper | LibreCat-ID: 62065
Adaptive Spectral Block Floating Point for Discontinuous Galerkin Methods
S. Sundriyal, M. Büttner, C. Alt, T. Kenter, V. Aizinger, in: 2025 IEEE High Performance Extreme Computing Conference (HPEC), IEEE, 2025.
LibreCat
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S. Sundriyal, M. Büttner, C. Alt, T. Kenter, V. Aizinger, in: 2025 IEEE High Performance Extreme Computing Conference (HPEC), IEEE, 2025.
2025 | Journal Article | LibreCat-ID: 62862
Tuning polariton vortices in an asymmetric ring potential
Q. Ai, X. Ma, F. Barkhausen, X. Zhai, C. Xing, X. Yang, P. Wang, T. Liu, Y. Zhang, Y. Gu, P. Li, Z. Li, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, T. Gao, Applied Physics Letters 127 (2025).
LibreCat
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Q. Ai, X. Ma, F. Barkhausen, X. Zhai, C. Xing, X. Yang, P. Wang, T. Liu, Y. Zhang, Y. Gu, P. Li, Z. Li, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, T. Gao, Applied Physics Letters 127 (2025).
2025 | Journal Article | LibreCat-ID: 60568 |
Phosphonic acid adsorption on α-Bi2O3 surfaces
A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface Science 760 (2025).
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A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface Science 760 (2025).
2025 | Journal Article | LibreCat-ID: 61353
Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen
K.L. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 3027 (2025).
LibreCat
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K.L. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 3027 (2025).
2025 | Journal Article | LibreCat-ID: 60992
Sensitivity and Topology of Exceptional Rings in Nonlinear Non-Hermitian Planar Optical Microcavities
J. Wingenbach, L. Ares Santos, X. Ma, J. Sperling, S. Schumacher, Arxiv (2025).
LibreCat
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J. Wingenbach, L. Ares Santos, X. Ma, J. Sperling, S. Schumacher, Arxiv (2025).
2025 | Journal Article | LibreCat-ID: 62926
Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis
A. Patra, P. Konrad, A. Sperlich, T. Biktagirov, W.G. Schmidt, L. Spencer, I. Aharonovich, S. Höfling, V. Dyakonov, Advanced Functional Materials (2025).
LibreCat
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A. Patra, P. Konrad, A. Sperlich, T. Biktagirov, W.G. Schmidt, L. Spencer, I. Aharonovich, S. Höfling, V. Dyakonov, Advanced Functional Materials (2025).
2025 | Journal Article | LibreCat-ID: 63160
Microscopic approach to the quantized light-matter interaction in semiconductor nanostructures: Complex coupled dynamics of excitons, biexcitons, and photons
H. Rose, S. Schumacher, T. Meier, Physical Review B 112 (2025).
LibreCat
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H. Rose, S. Schumacher, T. Meier, Physical Review B 112 (2025).
2025 | Journal Article | LibreCat-ID: 60298
PHOENIX – Paderborn highly optimized and energy efficient solver for two-dimensional nonlinear Schrödinger equations with integrated extensions
J. Wingenbach, D. Bauch, X. Ma, R. Schade, C. Plessl, S. Schumacher, Computer Physics Communications 315 (2025).
LibreCat
| DOI
J. Wingenbach, D. Bauch, X. Ma, R. Schade, C. Plessl, S. Schumacher, Computer Physics Communications 315 (2025).