GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code.

Sharma, Abhiraj; Metere, Alfredo; Suryanarayana, Phanish; Erlandson, Lucas; Chow, Edmond; Pask, John E

Sharma, Abhiraj; Metere, Alfredo; Suryanarayana, Phanish; Erlandson, Lucas; Chow, Edmond; Pask, John E.

Afiliación

Sharma A; Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
Metere A; Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
Suryanarayana P; College of Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Erlandson L; College of Computing, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Chow E; College of Computing, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Pask JE; Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.

J Chem Phys ; 158(20)2023 May 28.

Article en En | MEDLINE | ID: mdl-37249229

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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