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Hybrid classical/machine-learning force fields for the accurate description of molecular condensed-phase systems
Electronic structure methods offer in principle accurate predictions of molecular properties, however, their applicability is limited by computational costs. Empirical methods are cheaper, but come with inherent approximations and are dependent on the quality and quantity of training data. The rise...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10646964/ https://www.ncbi.nlm.nih.gov/pubmed/38020395 http://dx.doi.org/10.1039/d3sc04317g |