Open AccessGronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems
Author(s) -
Tjerk P. Straatsma,
Ria Broer,
Shirin Faraji,
Remco W. A. Havenith,
Luis Enrique Aguilar Suarez,
R. K. Kathir,
Meilani Wibowo,
Coen de Graaf
Publication year - 2020
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5141358
Subject(s) - massively parallel , computer science , parallel computing , graphics processing unit , computational science , atomic orbital , graphics , linear scale , physics , electron , computer graphics (images) , geodesy , quantum mechanics , geography