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Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling
[Image: see text] In adaptive-bias enhanced sampling methods, a bias potential is added to the system to drive transitions between metastable states. The bias potential is a function of a few collective variables and is gradually modified according to the underlying free energy surface. We show that...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9202311/ https://www.ncbi.nlm.nih.gov/pubmed/35617155 http://dx.doi.org/10.1021/acs.jctc.2c00152 |