The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2). | J Comput Chem;38(4): 228-237, 2017 02 05. | MEDLINE

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The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).

Bykov, Dmytro; Kjaergaard, Thomas.

Affiliation

Bykov D; Department of Chemistry, qLeap Center for Theoretical Chemistry, University of Aarhus, DK-8000 Århus C, Denmark.
Kjaergaard T; Department of Chemistry, qLeap Center for Theoretical Chemistry, University of Aarhus, DK-8000 Århus C, Denmark.

J Comput Chem ; 38(4): 228-237, 2017 02 05.

Article in En | MEDLINE | ID: mdl-27925252

Key words

MP2; graphic processing units; heterogeneous architectures; parallel Implementation

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2017 Document type: Article Affiliation country: Denmark Country of publication: United States

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2017 Document type: Article Affiliation country: Denmark Country of publication: United States