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Forecasting molecular dynamics energetics of polymers in solution from supervised machine learning
Machine learning techniques including neural networks are popular tools for chemical, physical and materials applications searching for viable alternative methods in the analysis of structure and energetics of systems ranging from crystals to biomolecules. Efforts are less abundant for prediction of...
| 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/PMC9200117/ https://www.ncbi.nlm.nih.gov/pubmed/35774160 http://dx.doi.org/10.1039/d2sc01216b |