Quantum-accurate spectral neighbor analysis potential models for Ni-Mo binary alloys and fcc metals
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.98.094104
Abstract: In recent years, efficient interatomic potentials approaching the accuracy of density functional theory (DFT) calculations have been developed using rigorous atomic descriptors satisfying strict invariances, for example, for translation, rotation, permutation of homonuclear atoms, among… read more here.
Keywords: spectral neighbor; model; analysis potential; neighbor analysis ... See more keywords