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Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles—Transferability towards Bulk
We analyse the efficacy of machine learning (ML) interatomic potentials (IP) in modelling gold (Au) nanoparticles. We have explored the transferability of these ML models to larger systems and established simulation times and size thresholds necessary for accurate interatomic potentials. To achieve...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303715/ https://www.ncbi.nlm.nih.gov/pubmed/37368262 http://dx.doi.org/10.3390/nano13121832 |