Schapeler, Timon, Robert Schade, Michael Lass, Christian Plessl, and Tim Bartley. “Scalable Quantum Detector Tomography by High-Performance Computing.” ArXiv:2404.02844, 2024.
LibreCat: /record/53202
arXiv: 2404.02844

Bauer, Carsten, Tobias Kenter, Michael Lass, Lukas Mazur, Marius Meyer, Holger Nitsche, Heinrich Riebler, et al. “Noctua 2 Supercomputer.”https://doi.org/10.17815/jlsrf-8-187 __Journal of Large-Scale Research Facilities 9 (2024).https://doi.org/10.17815/jlsrf-8-187  .
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DOI: 10.17815/jlsrf-8-187 

Wu, Xin, Tobias Kenter, Robert Schade, Thomas Kühne, and Christian Plessl. “Computing and Compressing Electron Repulsion Integrals on FPGAs.”https://doi.org/10.1109/FCCM57271.2023.00026__In 2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM), 162–73, 2023.https://doi.org/10.1109/FCCM57271.2023.00026 .
LibreCat: /record/43228
DOI: 10.1109/FCCM57271.2023.00026
arXiv: 2303.13632

Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas Kühne, and Christian Plessl. “Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics.”https://doi.org/10.1177/10943420231177631__The International Journal of High Performance Computing Applications, 2023.https://doi.org/10.1177/10943420231177631 .
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DOI: 10.1177/10943420231177631

Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
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arXiv: 2209.12747

Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CK on the Road to Exascale.” ArXiv:2205.14741, 2022.
LibreCat: /record/32404
arXiv: 2205.14741

Schade, Robert, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian Plessl, and Thomas Kühne. “Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers.”https://doi.org/10.1103/PhysRevResearch.4.033160__Phys. Rev. Research 4 (2022): 033160.https://doi.org/10.1103/PhysRevResearch.4.033160 .
LibreCat: /record/33226
DOI: 10.1103/PhysRevResearch.4.033160

Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
LibreCat: /record/46275
arXiv: 2209.12747

Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.”https://doi.org/10.1016/j.parco.2022.102920__Parallel Computing 111 (2022).https://doi.org/10.1016/j.parco.2022.102920 .
LibreCat: /record/33684
DOI: 10.1016/j.parco.2022.102920

Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CK: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.”https://doi.org/10.1063/5.0007045__The Journal of Chemical Physics 152, no. 19 (2020).https://doi.org/10.1063/5.0007045 .
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DOI: 10.1063/5.0007045
arXiv: 2003.03868

Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CK.”https://doi.org/10.1109/SC41405.2020.00084__In Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society, 2020.https://doi.org/10.1109/SC41405.2020.00084 .
LibreCat: /record/16898
DOI: 10.1109/SC41405.2020.00084
arXiv: 2004.10811