Robert Schade

Paderborn Center for Parallel Computing (PC2)
robert.schade@uni-paderborn.de
ID
75963

10 Publications

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[10]
2024 | Preprint | LibreCat-ID: 53202
Schapeler T, Schade R, Lass M, Plessl C, Bartley T. Scalable quantum detector tomography by high-performance computing. arXiv:240402844. Published online 2024.
LibreCat | arXiv
 
[9]
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
 
[8]
2023 | Journal Article | LibreCat-ID: 45361 | OA
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.)
 
[7]
2022 | Preprint | LibreCat-ID: 33493
Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in the Exascale Era. arXiv:220912747. Published online 2022.
LibreCat | arXiv
 
[6]
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
 
[5]
2022 | Journal Article | LibreCat-ID: 33226 | OA
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.)
 
[4]
2022 | Preprint | LibreCat-ID: 46275
Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in the Exascale Era. arXiv:220912747. Published online 2022.
LibreCat | arXiv
 
[3]
2022 | Journal Article | LibreCat-ID: 33684 | OA
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.)
 
[2]
2020 | Journal Article | LibreCat-ID: 16277 | OA
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
 
[1]
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
 
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10 Publications

Mark all

[10]
2024 | Preprint | LibreCat-ID: 53202
Schapeler T, Schade R, Lass M, Plessl C, Bartley T. Scalable quantum detector tomography by high-performance computing. arXiv:240402844. Published online 2024.
LibreCat | arXiv
 
[9]
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
 
[8]
2023 | Journal Article | LibreCat-ID: 45361 | OA
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.)
 
[7]
2022 | Preprint | LibreCat-ID: 33493
Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in the Exascale Era. arXiv:220912747. Published online 2022.
LibreCat | arXiv
 
[6]
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
 
[5]
2022 | Journal Article | LibreCat-ID: 33226 | OA
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.)
 
[4]
2022 | Preprint | LibreCat-ID: 46275
Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in the Exascale Era. arXiv:220912747. Published online 2022.
LibreCat | arXiv
 
[3]
2022 | Journal Article | LibreCat-ID: 33684 | OA
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.)
 
[2]
2020 | Journal Article | LibreCat-ID: 16277 | OA
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
 
[1]
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
 
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