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Predicting reaction coordinates in energy landscapes with diffusion anisotropy
We consider a range of model potentials with metastable states undergoing molecular dynamics coupled to a thermal bath in the high friction regime and consider how the optimal reaction coordinate depends on the diffusion anisotropy. For this we use our recently proposed method “spectral gap optimiza...
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| Gepubliceerd in: | J Chem Phys |
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| Hoofdauteurs: | , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
AIP Publishing LLC
2017
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5446309/ https://ncbi.nlm.nih.gov/pubmed/29055314 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4983727 |
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