The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
نویسندگان
چکیده
منابع مشابه
The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
We consider numerical methods for thermodynamic sampling, i.e., computing sequences of points distributed according to the Gibbs–Boltzmann distribution, using Langevin dynamics and overdamped Langevin dynamics (Brownian dynamics). A wide variety of numerical methods for Langevin dynamics may be constructed based on splitting the stochastic differential equations into various component parts, ea...
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ژورنال
عنوان ژورنال: IMA Journal of Numerical Analysis
سال: 2015
ISSN: 0272-4979,1464-3642
DOI: 10.1093/imanum/dru056