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Author

Raymond Weldon

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Open access Sep 2026

Predicting solubility of molecular liquids using first principles and adaptive force matching.

Accurate prediction of solubility is crucial in various fields, including pharmaceuticals, environmental chemistry, and materials science. In this study, we demonstrate the application of Adaptive Force Matching (AFM) to predict the solubility of molecular liquids in water. By developing high-quality force fields using...

Raymond Weldon, Feng Wang · 0 citations
Open access Aug 2026

Predicting Properties of Key Ingredients of Battery Solvents with Density Functional Theory and Adaptive Force Matching

The performance of batteries is heavily influenced by the properties of their solvents, which play a crucial role in ion solvation, conductivity, and electrochemical stability. However, traditional force field models often fall short in accurately predicting these properties. This study investigates the potential of ad...

Yang Wei, Raymond Weldon, Feng Wang · 0 citations

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