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Machine Learning Interatomic Potentials and Long-Range Physics

[Image: see text] Advances in machine learned interatomic potentials (MLIPs), such as those using neural networks, have resulted in short-range models that can infer interaction energies with near ab initio accuracy and orders of magnitude reduced computational cost. For many atom systems, including...

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Detalles Bibliográficos
Autores principales: Anstine, Dylan M., Isayev, Olexandr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041642/
https://www.ncbi.nlm.nih.gov/pubmed/36802360
http://dx.doi.org/10.1021/acs.jpca.2c06778