Machine-learned acceleration for molecular dynamics in CASTEP. (2023)

First Author: Stenczel TK
Attributed to:  CASTEP-USER: Predictive Materials Modelling For Experimental Scientists funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0155621

PubMed Identifier: 37497818

Publication URI: http://europepmc.org/abstract/MED/37497818

Type: Journal Article/Review

Volume: 159

Parent Publication: The Journal of chemical physics

Issue: 4

ISSN: 0021-9606