DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. (2020)

First Author: Hourahine B
Attributed to:  Beyond Classical Molecular Dynamics: Developing DL_POLY funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.5143190

PubMed Identifier: 32241125

Publication URI: http://europepmc.org/abstract/MED/32241125

Type: Journal Article/Review

Volume: 152

Parent Publication: The Journal of chemical physics

Issue: 12

ISSN: 0021-9606