2010
DOI: 10.1088/0951-7715/23/9/006
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Effective dynamics using conditional expectations

Abstract: The question of coarse-graining is ubiquitous in molecular dynamics. In this article, we are interested in deriving effective properties for the dynamics of a coarse-grained variable ξ(x), where x describes the configuration of the system in a high-dimensional space R n , and ξ is a smooth function with value in R (typically a reaction coordinate). It is well known that, given a Boltzmann-Gibbs distribution on x ∈ R n , the equilibrium properties on ξ(x) are completely determined by the free energy. On the oth… Show more

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Cited by 98 publications
(212 citation statements)
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“…The sequence ρ ε is tight in M([0, T ]×R 2 ) by estimate (49), which implies Part 1. The proof of part 2 is similar to Part 2 in Theorem 2.4, and the final estimate is a direct consequence of (50).…”
Section: T ]; P( )) With Respect To the Uniform Topology In Time And mentioning
confidence: 79%
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“…The sequence ρ ε is tight in M([0, T ]×R 2 ) by estimate (49), which implies Part 1. The proof of part 2 is similar to Part 2 in Theorem 2.4, and the final estimate is a direct consequence of (50).…”
Section: T ]; P( )) With Respect To the Uniform Topology In Time And mentioning
confidence: 79%
“…Existing quantitative methods such as [42,49] only work for gradient flows systems since they use crucially the gradient flow structures. The essential estimate that they need is the energy-dissipation inequality, which is similar to (4).…”
Section: Conclusion and Discussionmentioning
confidence: 99%
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“…This possibility, which has been analysed in [27], yields a stochastic differential equation for z of the form,…”
Section: Effective Dynamics In the Free Energy Landscapementioning
confidence: 99%