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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| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics,
2012-03-08T19:25:07Z.
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| Subjects: | |
| Online Access: | Get fulltext |