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Achieving Accurate Entropy and Melting Point by Ab Initio Molecular Dynamics and Zentropy Theory: Application to Fluoride and Chloride Molten Salts

Shun-Li Shang, Nigel L. E. Hew, Rushi Gong, Cillian Cockrell, Paul A. Bingham,Xiaofeng Guo,Qi-Jun Hong,Zi-Kui Liu

arxiv(2025)

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