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High-dimensional neural network potentials for accurate vibrational frequencies: the formic acid dimer benchmark
In recent years, machine learning potentials (MLP) for atomistic simulations have attracted a lot of attention in chemistry and materials science. Many new approaches have been developed with the primary aim to transfer the accuracy of electronic structure calculations to large condensed systems con...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9749085/ https://www.ncbi.nlm.nih.gov/pubmed/36459127 http://dx.doi.org/10.1039/d2cp03893e |