High-throughput production of force-fields for solid-state electrolyte materials
An automatic and high-throughput method to produce interatomic force-fields for solid-state electrolyte materials is proposed. The proposed method employs the cuckoo search algorithm with an automatic update of search space to optimize parameters in empirical potentials to reproduce radial and angul...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2020-08-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0015373 |