Hybrid Ensembles for Improved Force Matching

Force matching is a method for parameterizing empirical potentials in which the empirical parameters are fitted to a reference potential energy surface (PES). Typically, training data are sampled from a canonical ensemble generated with either the empirical potential or the reference PES. In this Co...

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Bibliographic Details
Main Authors: Wang, Lee-Ping (Contributor), Van Voorhis, Troy (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Institute of Physics, 2012-03-08T19:25:07Z.
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