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Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile

New software capabilities in RMCProfile allow researchers to study the structure of materials by combining machine learning interatomic potentials and reverse Monte Carlo. Click to show full abstract

New software capabilities in RMCProfile allow researchers to study the structure of materials by combining machine learning interatomic potentials and reverse Monte Carlo.

Keywords: learning interatomic; interatomic potentials; structure; machine learning; monte carlo; reverse monte

Journal Title: Journal of Applied Crystallography
Year Published: 2024

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