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Accelerating the density-functional tight-binding method using graphical processing units.
Vuong, Van-Quan; Cevallos, Caterina; Hourahine, Ben; Aradi, Bálint; Jakowski, Jacek; Irle, Stephan; Camacho, Cristopher.
Afiliação
  • Vuong VQ; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, USA.
  • Cevallos C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica.
  • Hourahine B; SUPA, Department of Physics, The John Anderson Building, 107 Rottenrow East, Glasgow G4 0NG, United Kingdom.
  • Aradi B; Bremen Center for Computational Materials Science, Universität Bremen, Bremen, Germany.
  • Jakowski J; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Irle S; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Camacho C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica.
J Chem Phys ; 158(8): 084802, 2023 Feb 28.
Article em En | MEDLINE | ID: mdl-36859078
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2023 Tipo de documento: Article