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A self-learning algorithm for biased molecular dynamics
A new self-learning algorithm for accelerated dynamics, reconnaissance metadynamics, is proposed that is able to work with a very large number of collective coordinates. Acceleration of the dynamics is achieved by constructing a bias potential in terms of a patchwork of one-dimensional, locally vali...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2955137/ https://ncbi.nlm.nih.gov/pubmed/20876135 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1011511107 |
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