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...
Main Authors: | , |
---|---|
Other Authors: | |
Format: | Article |
Language: | en_US |
Published: |
American Institute of Physics
2012
|
Online Access: | http://hdl.handle.net/1721.1/69604 https://orcid.org/0000-0001-7111-0176 |