Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles

We have investigated Machine Learning Interatomic Potentials in application to the properties of gold nanoparticles through the DeePMD package, using data generated with the ab-initio VASP program. Benchmarking was carried out on Au [Formula: see text] nanoclusters against ab-initio molecular dynami...

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Detalles Bibliográficos
Autores principales: Fronzi, Marco, Amos, Roger D., Kobayashi, Rika, Matsumura, Naoki, Watanabe, Kenta, Morizawa, Rafael K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9655512/
https://www.ncbi.nlm.nih.gov/pubmed/36364667
http://dx.doi.org/10.3390/nano12213891

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9655512/
https://www.ncbi.nlm.nih.gov/pubmed/36364667
http://dx.doi.org/10.3390/nano12213891

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