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Physically informed artificial neural networks for atomistic modeling of materials

Large-scale atomistic computer simulations of materials heavily rely on interatomic potentials predicting the energy and Newtonian forces on atoms. Traditional interatomic potentials are based on physical intuition but contain few adjustable parameters and are usually not accurate. The emerging mach...

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Detalles Bibliográficos
Autores principales: Pun, G. P. Purja, Batra, R., Ramprasad, R., Mishin, Y.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6538760/
https://www.ncbi.nlm.nih.gov/pubmed/31138813
http://dx.doi.org/10.1038/s41467-019-10343-5