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Kramers turnover: From energy diffusion to spatial diffusion using metadynamics

We consider the rate of transition for a particle between two metastable states coupled to a thermal environment for various magnitudes of the coupling strength using the recently proposed infrequent metadynamics approach [P. Tiwary and M. Parrinello, Phys. Rev. Lett. 111, 230602 (2013)]. We are int...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Phys
Prif Awduron: Tiwary, Pratyush, Berne, B. J.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: AIP Publishing LLC 2016
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4818276/
https://ncbi.nlm.nih.gov/pubmed/27059558
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4944577
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