most citedSolvation Structures and Ion Dynamics of CaCl Aqueous Electrolytes Using Metadynamics and Machine Learning Molecular Dynamics Simulations

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physics.chem-ph2023★ 1 cited

Solvation Structures and Ion Dynamics of CaCl Aqueous Electrolytes Using Metadynamics and Machine Learning Molecular Dynamics Simulations

Zhou Yu, Lei Cheng

The solvation structures and ion dynamics of CaCl aqueous electrolytes have been investigated using ab initio molecular dynamics simulations and molecular dynamics simulations…