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Energy-free machine learning force field for aluminum
We used the machine learning technique of Li et al. (PRL 114, 2015) for molecular dynamics simulations. Atomic configurations were described by feature matrix based on internal vectors, and linear regression was used as a learning technique. We implemented this approach in the LAMMPS code. The metho...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5561031/ https://ncbi.nlm.nih.gov/pubmed/28819297 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-08455-3 |
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