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Improving the Reliability of Classical Molecular Dynamics Simulations in Battery Electrolyte Design

Xin He,Yujie Zhang,Haomiao Li,Min Zhou,Wei Wang,Ruxing Wang,Kai Jiang,Kangli Wang

JOURNAL OF ENERGY CHEMISTRY（2025）

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Key words
Electrolyte,Classical molecular dynamics,Solvation structure,Simulations
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