Evaluating and improving the predictive accuracy of mixing enthalpies and volumes in disordered alloys from universal pretrained machine learning potentials
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DOI: 10.1103/physrevmaterials.8.113803
Abstract: The advent of machine learning in materials science opens the way for exciting and ambitious simulations of large systems and long time scales with the accuracy of calculations. Recently, several pretrained universal machine learned interatomic… read more here.
Keywords: enthalpies volumes; mixing enthalpies; machine learning; machine ... See more keywords