Empirical interatomic potentials optimized for phonon properties
Molecular dynamics: Optimized potentials for studying phonons A framework has been developed that can optimize the potentials needed to more accurately study phonons using molecular dynamics. Molecular dynamics simulations are an indispensable tool for studying how atoms interact. Despite their wide...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2017-07-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-017-0026-y |