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Transition-Path Theory Calculations on Non-Uniform Meshes in Two and Three Dimensions using Finite Elements
Rare events between states in complex systems are fundamental in many scientific fields and can be studied by building reaction pathways. A theoretical framework to analyze reaction pathways is provided by transition-path theory (TPT). The central object in TPT is the committor function, which is fo...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3760196/ https://ncbi.nlm.nih.gov/pubmed/24014889 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2013.05.017 |
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