Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

Title
Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
Authors
Keywords
Interatomic potential, Machine learning, Spectral neighbor analysis potential, SNAP, Gaussian approximation potentials, Molecular dynamics
Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 285, Issue -, Pages 316-330
Publisher
Elsevier BV
Online
2014-12-16
DOI
10.1016/j.jcp.2014.12.018

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