Petrov-Galerkin methods for the construction of non-Markovian dynamics preserving nonlocal statistics

A common observation in coarse-graining a molecular system is the non-Markovian behavior, primarily due to the lack of scale separations. This is reflected in the strong memory effect and the non-white noise spectrum, which must be incorporated into a coarse-grained description to correctly predict dynamic properties. To construct a stochastic model that gives rise to the correct non-Markovian dynamics, we propose a Galerkin projection approach, which transforms the exhausting effort of finding an appropriate model to choosing appropriate subspaces in terms of the derivatives of the coarse-grained variables and, at the same time, provides an accurate approximation to the generalized Langevin equation. We introduce the notion of fractional statistics that embodies nonlocal properties. More importantly, we show how to pick subspaces in the Galerkin projection so that those statistics are automatically matched.

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Work Title Petrov-Galerkin methods for the construction of non-Markovian dynamics preserving nonlocal statistics
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Open Access
Creators
  1. Huan Lei
  2. Xiantao Li
License In Copyright (Rights Reserved)
Work Type Article
Publisher
  1. Journal of Chemical Physics
Publication Date May 14, 2021
Publisher Identifier (DOI)
  1. https://doi.org/10.1063/5.0042679
Deposited July 15, 2021

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