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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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Autori principali: Lapelosa, Mauro, Abrams, Cameron F.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2013
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Accesso online: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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