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Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide

Sivaraman, G; Gallington, L; Krishnamoorthy, AN; Stan, M; Csanyi, G; Vazquez-Mayagoitia, A; Benmore, CJ

Sivaraman, G (corresponding author), Argonne Natl Lab, Leadership Comp Facil, Lemont, IL 60439 USA.; Benmore, CJ (corresponding author), Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA.

PHYSICAL REVIEW LETTERS, 2021; 126 (15):

Abstract

Understanding the structure and properties of refractory oxides is critical for high temperature applications. In this work, a combined experimental a......

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