Exploració per autor "Vahtras, Olav"

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    • Scalability analysis of Dalton, a molecular structure program 

      Aguilar, Xavier; Schliephake, Michael; Vahtras, Olav; Giménez Lucas, Judit; Laure, Erwin (Elsevier, 2013-10)
      Article
      Accés restringit per política de l'editorial
      Dalton is a molecular electronic structure program featuring common methods of computational chemistry that are based on pure quantum mechanics (QM) as well as hybrid quantum mechanics/molecular mechanics (QM/MM). It is ...

    • Scaling Dalton: a molecular electronic structure program 

      Aguilar, Xavier; Schliepake, Michael; Vahtras, Olav; Giménez Lucas, Judit; Laure, Erwin (Institute of Electrical and Electronics Engineers (IEEE), 2011)
      Text en actes de congrés
      Accés restringit per política de l'editorial
      Dalton is a molecular electronic structure program featuring common methods of computational chemistry that are based on pure quantum mechanics (QM) as well as hybrid quantum mechanics/molecular mechanics (QM/MM). It is ...