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DFT-AIMD

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2 results in Keywords: DFT-AIMD

Theoretical and Computational Chemistry

Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potentials

Stephen T. Lam, Qing-Jie Li, Ronald Ballinger, Charles Forsberg, Ju Li

Version 2 posted 21 January 2021

566

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Chemical Engineering and Industrial Chemistry

The Impact of Hydrogen Valence on Its Bonding and Transport in Molten Fluoride Salts

Stephen T. Lam, Qing-Jie Li, Jonathan P. Mailoa, Charles Forsberg, Ronald Ballinger, Ju Li

Version 1 posted 03 November 2020

329

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