Dcdftbmd Divide-and-Conquer Density Functional Tight-Binding Program for Huge-System Quantum Mechanical Molecular Dynamics Simulations

Dcdftbmd : Divide-and-Conquer Density Functional Tight-Binding Program for Huge-System Quantum Mechanical Molecular Dynamics Simulations

© 2019 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 40(2019), 15 vom: 05. Juni, Seite 1538-1549
Auteur principal: Nishimura, Yoshifumi (Auteur)
Autres auteurs: Nakai, Hiromi
Format: Article en ligne
Langue:English
Publié: 2019
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't density functional tight-binding method divide-and-conquer method metadynamics molecular dynamics
Accès en ligne Volltext