EAPOTs: An integrated empirical interatomic potential optimization platform for single elemental solids
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DOI: 10.1016/j.commatsci.2021.110626
Abstract: Abstract The development of high-fidelity, empirical, interatomic potentials is in high demand since it determines the reliability and quality of atomistic simulations, such as molecular dynamics/statics (MD/MS) and Monte Carlo (MC) simulations; however, it is… read more here.
Keywords: optimization; single elemental; elemental solids; platform ... See more keywords