Llwytho...
GPU Algorithm for the Scaled Opposite-Spin (SOS) MP2 Energy Evaluation
The most computationally intensive part of the SOS-MP2 algorithm for the calculation of the correlation energy [1], as executed in Q-Chem, is implemented for use in a graphical processing unit (GPU). Our approach adds new routines to the library initially devel - oped by Aspuru...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | Journal of the Mexican Chemical Society |
|---|---|
| Prif Awduron: | , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
Sociedad Química de México
2017
|
| Pynciau: | |
| Mynediad Ar-lein: | https://www.redalyc.org/articulo.oa?id=47551118009 |
| Tagiau: |
Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!
|