SuperSalt: equivariant neural network force fields for multicomponent molten salts system

Abstract Molten salts are crucial for clean energy applications, yet exploring their thermophysical properties across diverse chemical space remains challenging. We present the development of a machine learning interatomic potential (MLIP) called SuperSalt, which targets 11-cation chloride melts and...

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Bibliographic Details
Main Authors: Chen Shen, Siamak Attarian, Yixuan Zhang, Hongbin Zhang, Mark Asta, Izabela Szlufarska, Dane Morgan
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-62450-1
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