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String Method with Swarms-of-Trajectories, Mean Drifts, Lag Time, and Committor
[Image: see text] The kinetics of a dynamical system comprising two metastable states is formulated in terms of a finite-time propagator in phase space (position and velocity) adapted to the underdamped Langevin equation. Dimensionality reduction to a subspace of collective variables yields familiar...
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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/PMC8419867/ https://www.ncbi.nlm.nih.gov/pubmed/34406010 http://dx.doi.org/10.1021/acs.jpca.1c04110 |