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Strategic sampling with stochastic surface walking for machine learning force fields in iron's bcc–hcp phase transitions
This study developed a machine learning-based force field for simulating the bcc–hcp phase transitions of iron. By employing traditional molecular dynamics sampling methods and stochastic surface walking sampling methods, combined with Bayesian inference, we construct an efficient machine learning p...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10614040/ https://www.ncbi.nlm.nih.gov/pubmed/37908655 http://dx.doi.org/10.1039/d3ra04676a |