Transport Coefficients from Large Deviation Functions

Transport Coefficients from Large Deviation Functions

We describe a method for computing transport coefficients from the direct evaluation of large deviation functions. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular c...

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Bibliographic Details
Main Authors: Chloe Ya Gao, David T. Limmer
Format: Article
Language:English
Published: MDPI AG 2017-10-01
Series:Entropy
Subjects:
transport coefficients
diffusion Monte Carlo
large deviation function
molecular dynamics
Online Access:https://www.mdpi.com/1099-4300/19/11/571

Internet

https://www.mdpi.com/1099-4300/19/11/571

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