Transport Coefficients from Large Deviation Functions

Article, Preprint English OPEN
Chloe Ya Gao; David T. Limmer;
(2017)
  • Publisher: MDPI AG
  • Journal: Entropy (issn: 1099-4300)
  • Publisher copyright policies & self-archiving
  • Related identifiers: doi: 10.3390/e19110571
  • Subject: Physics - Chemical Physics | transport coefficients | diffusion Monte Carlo | Astrophysics | molecular dynamics | Condensed Matter - Soft Condensed Matter | QB460-466 | Q | Science | Physics | Condensed Matter - Statistical Mechanics | large deviation function | QC1-999

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. Equilibri... View more
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