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