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Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum Functions

Authors :
Buu Q. Pham
Melisa Alkan
Mark S. Gordon
Source :
Journal of Chemical Theory and Computation. 19:2213-2221
Publication Year :
2023
Publisher :
American Chemical Society (ACS), 2023.

Details

ISSN :
15499626 and 15499618
Volume :
19
Database :
OpenAIRE
Journal :
Journal of Chemical Theory and Computation
Accession number :
edsair.doi...........0ae528e577ce73e96fd238252f7aba1f