Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.

Andrade, Xavier; Alberdi-Rodriguez, Joseba; Strubbe, David A; Oliveira, Micael J T; Nogueira, Fernando; Castro, Alberto; Muguerza, Javier; Arruabarrena, Agustin; Louie, Steven G; Aspuru-Guzik, Alán; Rubio, Angel; Marques, Miguel A L

Andrade, Xavier; Alberdi-Rodriguez, Joseba; Strubbe, David A; Oliveira, Micael J T; Nogueira, Fernando; Castro, Alberto; Muguerza, Javier; Arruabarrena, Agustin; Louie, Steven G; Aspuru-Guzik, Alán; Rubio, Angel; Marques, Miguel A L.

Affiliation

Andrade X; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, USA. xavier@tddft.org

J Phys Condens Matter ; 24(23): 233202, 2012 Jun 13.

Article in En | MEDLINE | ID: mdl-22562950

Subject(s)

Computers; Quantum Theory; Software; Benzene/chemistry; Computer Graphics; Models, Molecular; Molecular Conformation; Time Factors

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory / Software / Computers Type of study: Prognostic_studies Language: En Journal: J Phys Condens Matter Journal subject: BIOFISICA Year: 2012 Document type: Article Affiliation country: United States Country of publication: United kingdom

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