Effects of cluster expansion on the locations of phase transition boundary as a first step to quantify uncertainty in first principles statistical mechanics framework

Title
Effects of cluster expansion on the locations of phase transition boundary as a first step to quantify uncertainty in first principles statistical mechanics framework
Authors
Keywords
Density Functional Theory, Cluster expansion, Machine learning, Statistical Mechanics, Monte Carlo, Phase Transition, First principles thermodynamics, Uncertainty quantification, Mg alloy
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 186, Issue -, Pages 110050
Publisher
Elsevier BV
Online
2020-09-10
DOI
10.1016/j.commatsci.2020.110050

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