wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows (2023)

First Author: Gelžinyte E
Attributed to:  Interatomic Potentials for Small Molecule Radical Reactions funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0156845

Publication URI: http://dx.doi.org/10.1063/5.0156845

Type: Journal Article/Review

Parent Publication: The Journal of Chemical Physics

Issue: 12