Numerical integration of the extended variable generalized Langevin equation with a positive Prony representable memory kernel

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Numerical integration of the extended variable generalized Langevin equation with a positive Prony representable memory kernel.

Generalized Langevin dynamics (GLD) arise in the modeling of a number of systems, ranging from structured fluids that exhibit a viscoelastic mechanical response, to biological systems, and other media that exhibit anomalous diffusive phenomena. Molecular dynamics (MD) simulations that include GLD in conjunction with external and/or pairwise forces require the development of numerical integrator...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2013

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.4815917