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Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling
[Image: see text] Machine learning methods provide a general framework for automatically finding and representing the essential characteristics of simulation data. This task is particularly crucial in enhanced sampling simulations. There we seek a few generalized degrees of freedom, referred to as c...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389995/ https://www.ncbi.nlm.nih.gov/pubmed/34213915 http://dx.doi.org/10.1021/acs.jpca.1c02869 |