Optimizing replica exchange moves for molecular dynamics.

Optimizing replica exchange moves for molecular dynamics. Research Abstract Details 

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Optimizing replica exchange moves for molecular dynamics. Abstract Text:

Walter Nadler,Ulrich H E Hansmann,

We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method.

Optimizing replica exchange moves for molecular dynamics. Publishing Authors By Initials

W Nadler,UH Hansmann,

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Optimizing replica exchange moves for molecular dynamics. Journal Published:

PUBLICATION TYPE: Research Support, U.S. Gov't,

Journal: Physical review. E, Statistical, nonlinear, and so

VOLUME: 76

Page Numbers: 057102

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ISSN: 1539-3755

DAY: 15

MONTH: 11

YEAR: 2007

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LANGUAGE: eng

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Grant and Affiliation Information for Optimizing replica exchange moves for molecular dynamics.

AFFILIATION: John-von-Neumann Institute for Computing, Forschungszentrum Jülich, D-52425 Jülich, Germany. wnadler@mtu.edu

Country: United States

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MEDLINETA: Phys Rev E Stat Nonlin Soft Ma

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