Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
12 Publications
2025 | Journal Article | LibreCat-ID: 53202 | 
Schapeler T, Schade R, Lass M, Plessl C, Bartley T. Scalable quantum detector tomography by high-performance computing. Quantum Science and Technology. 2025;10(1). doi:10.1088/2058-9565/ad8511
LibreCat
| DOI
| Download (ext.)
| arXiv
2024 | Journal Article | LibreCat-ID: 53663 |
Bauer C, Kenter T, Lass M, et al. Noctua 2 Supercomputer. Journal of large-scale research facilities. 2024;9. doi:10.17815/jlsrf-8-187
LibreCat
| Files available
| DOI
2024 | Preprint | LibreCat-ID: 57489
Wingenbach J, Bauch D, Ma X, Schade R, Plessl C, Schumacher S. PHOENIX -- Paderborn highly optimized and energy efficient solver for two-dimensional nonlinear Schrödinger equations with integrated extensions. arXiv:241118341. Published online 2024.
LibreCat
| arXiv
2023 | Conference Paper | LibreCat-ID: 43228
Wu X, Kenter T, Schade R, Kühne T, Plessl C. Computing and Compressing Electron Repulsion Integrals on FPGAs. In: 2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM). ; 2023:162-173. doi:10.1109/FCCM57271.2023.00026
LibreCat
| DOI
| Download (ext.)
| arXiv
2023 | Journal Article | LibreCat-ID: 45361 |
Schade R, Kenter T, Elgabarty H, Lass M, Kühne T, Plessl C. Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics. The International Journal of High Performance Computing Applications. Published online 2023. doi:10.1177/10943420231177631
LibreCat
| DOI
| Download (ext.)
2022 | Preprint | LibreCat-ID: 32404
Kühne T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. arXiv:220514741. Published online 2022.
LibreCat
| Download (ext.)
| arXiv
2022 | Journal Article | LibreCat-ID: 33226 |
Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry on noisy intermediate-scale quantum computers. Phys Rev Research. 2022;4:033160. doi:10.1103/PhysRevResearch.4.033160
LibreCat
| DOI
| Download (ext.)
2022 | Journal Article | LibreCat-ID: 33684 |
Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing. 2022;111. doi:10.1016/j.parco.2022.102920
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 16277 |
Kühne T, Iannuzzi M, Ben MD, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19). doi:10.1063/5.0007045
LibreCat
| Files available
| DOI
| Download (ext.)
| arXiv
2020 | Conference Paper | LibreCat-ID: 16898
Lass M, Schade R, Kühne T, Plessl C. A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K. In: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC). IEEE Computer Society; 2020:1127-1140. doi:10.1109/SC41405.2020.00084
LibreCat
| DOI
| Download (ext.)
| arXiv