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2020 | Journal Article | LibreCat-ID: 16277
T. Kühne et al., “CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,” The Journal of Chemical Physics, vol. 152, no. 19, 2020.LibreCat | Files available | DOI | Download (ext.) | arXiv
2020 | Conference Paper | LibreCat-ID: 16898
M. Lass, R. Schade, T. Kühne, and C. Plessl, “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), Atlanta, GA, US, 2020, pp. 1127–1140.LibreCat | DOI | arXiv
2020 | Conference Paper | LibreCat-ID: 16852
S. Groth, D. Grünewald, J. Teich, and F. Hannig, “A Runtime System for Finite Element Methods in a Partitioned Global Address Space,” in Proceedings of the 17th ACM International Conference on Computing Frontiers (CF ’2020), Catania, Sicily, Italy, 2020.LibreCat | DOI
2019 | Conference Paper | LibreCat-ID: 15478
P. Gorlani, T. Kenter, and C. Plessl, “OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs,” in Proceedings of the International Conference on Field-Programmable Technology (FPT), 2019.LibreCat | Files available | DOI
2019 | Journal Article | LibreCat-ID: 21
D. Richters, M. Lass, A. Walther, C. Plessl, and T. Kühne, “A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices,” Communications in Computational Physics, vol. 25, no. 2, pp. 564–585, 2019.LibreCat | DOI | arXiv