Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory. (2017)
Attributed to:
SI2-CHE: Development and Deployment of Chemical Software for Advanced Potential Energy Surfaces
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.4978684
PubMed Identifier: 28388116
Publication URI: http://europepmc.org/abstract/MED/28388116
Type: Journal Article/Review
Volume: 146
Parent Publication: The Journal of chemical physics
Issue: 12
ISSN: 0021-9606