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Collective variable-based enhanced sampling and machine learning
ABSTRACT: Collective variable-based enhanced sampling methods have been widely used to study thermodynamic properties of complex systems. Efficiency and accuracy of these enhanced sampling methods are affected by two factors: constructing appropriate collective variables for enhanced sampling and ge...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8527828/ https://www.ncbi.nlm.nih.gov/pubmed/34697536 http://dx.doi.org/10.1140/epjb/s10051-021-00220-w |