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classical interatomic potential

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1 results in Keywords: classical interatomic potential

Materials Science

End-To-End Learning of Classical Interatomic Potentials for Benchmarking Anion Polarization Effects in Lithium Polymer Electrolytes

Pablo A. Leon, Avni Singhal, Jurgis Ruza, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Version 2 posted 11 September 2024

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