Solvation structures and ion dynamics of CaCl2 aqueous electrolytes using metadynamics and machine learning molecular dynamics simulations

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Yu, Zhou, Cheng, Lei. 2025-05-01. Solvation structures and ion dynamics of CaCl2 aqueous electrolytes using metadynamics and machine learning molecular dynamics simulations. https://doi.org/10.1016/j.cplett.2025.141985

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