SuperSalt is a MACE-based machine learning potential that predicts thermophysical properties of 11-cation chloride melts with near-DFT accuracy and enables Bayesian optimization of salt compositions.
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SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System
SuperSalt is a MACE-based machine learning potential that predicts thermophysical properties of 11-cation chloride melts with near-DFT accuracy and enables Bayesian optimization of salt compositions.