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2020 – today
- 2024
[i5]Timon Schapeler, Robert Schade
, Michael Lass, Christian Plessl, Tim J. Bartley:
Scalable quantum detector tomography by high-performance computing. CoRR abs/2404.02844 (2024)- 2023
- [j2]Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas D. Kühne, Christian Plessl:
Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics. Int. J. High Perform. Comput. Appl. 37(5): 530-538 (2023) - [c2]Xin Wu, Tobias Kenter, Robert Schade, Thomas D. Kühne, Christian Plessl:
Computing and Compressing Electron Repulsion Integrals on FPGAs. FCCM 2023: 162-173 - [i4]Xin Wu, Tobias Kenter, Robert Schade, Thomas D. Kühne, Christian Plessl:
Computing and Compressing Electron Repulsion Integrals on FPGAs. CoRR abs/2303.13632 (2023) - 2022
- [j1]Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl:
Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Comput. 111: 102920 (2022) - [i3]Thomas D. Kühne, Christian Plessl, Robert Schade, Ole Schütt:
CP2K on the road to exascale. CoRR abs/2205.14741 (2022) - 2021
- [i2]Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl:
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms. CoRR abs/2104.08245 (2021) - 2020
- [c1]Michael Lass, Robert Schade, Thomas D. Kühne, Christian Plessl:
A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K. SC 2020: 80 - [i1]Michael Lass, Robert Schade, Thomas D. Kühne, Christian Plessl:
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K. CoRR abs/2004.10811 (2020)
Coauthor Index
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