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Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data

Lee-Ping Wang1, Jiahao Chen2, Troy Van Voorhis2

  • 1Department of Chemistry, Stanford University, 318 Campus Drive, Stanford, California 94350, United States.

Journal of Chemical Theory and Computation
|November 22, 2015
PubMed
Summary

ForceBalance is a free software tool for optimizing molecular force fields. It addresses key challenges in force field development, enabling accurate parametrization of various functional forms and creating precise models, such as for polarizable water.

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