Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of materials properties using such potentials and, especially, an easy-to-use user-int...

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Detalles Bibliográficos
Autores principales: Choudhary, Kamal, Congo, Faical Yannick P., Liang, Tao, Becker, Chandler, Hennig, Richard G., Tavazza, Francesca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5283064/
https://www.ncbi.nlm.nih.gov/pubmed/28140407
http://dx.doi.org/10.1038/sdata.2016.125

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5283064/
https://www.ncbi.nlm.nih.gov/pubmed/28140407
http://dx.doi.org/10.1038/sdata.2016.125

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