Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Cevallos, Caterina"'
Autor:
Vuong, Van-Quan, Cevallos, Caterina, Hourahine, Ben, Aradi, Bálint, Jakowski, Jacek, Irle, Stephan, Camacho, Cristopher
Publikováno v:
Journal of Chemical Physics; 2/28/2023, Vol. 158 Issue 8, p1-10, 10p
This patch utilizes MAGMA BLAS functions to construct the density matrix in the GPU for DFTB+.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dcde3226ffdab74afd746eb69b54c44f
Autor:
Sadler MC; University Center for Primary Care and Public Health, Lausanne, Switzerland.; Swiss Institute of Bioinformatics, Lausanne, Switzerland.; Department of Computational Biology, University of Lausanne, Lausanne, Switzerland., Apostolov A; Department of Computational Biology, University of Lausanne, Lausanne, Switzerland., Cevallos C; Center for Integrative Genomics, University of Lausanne, Lausanne, Switzerland., Ribeiro DM; Department of Computational Biology, University of Lausanne, Lausanne, Switzerland., Altman RB; Department of Bioengineering, Stanford University, Stanford, CA, USA., Kutalik Z; University Center for Primary Care and Public Health, Lausanne, Switzerland.; Swiss Institute of Bioinformatics, Lausanne, Switzerland.; Department of Computational Biology, University of Lausanne, Lausanne, Switzerland.
Publikováno v:
MedRxiv : the preprint server for health sciences [medRxiv] 2024 Apr 07. Date of Electronic Publication: 2024 Apr 07.