Dynamics and optimal number of replicas in parallel tempering simulations.

Dynamics and optimal number of replicas in parallel tempering simulations. Research Abstract Details 

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Dynamics and optimal number of replicas in parallel tempering simulations. Abstract Text:

Walter Nadler,Ulrich H E Hansmann,Walter Nadler,Ulrich H E Hansmann,

We study the dynamics of parallel tempering simulations, also known as the replica exchange technique, which has become the method of choice for simulation of proteins and other complex systems. Recent results for the optimal choice of the control parameter discretization allow a treatment independent of the system in question. By analyzing mean first passage times across the control parameter space, we find an expression for the optimal number of replicas in simulations covering a given temperature range. Our results suggest a particular protocol to optimize the number of replicas in actual simulations.

Dynamics and optimal number of replicas in parallel tempering simulations. Publishing Authors By Initials

W Nadler,UH Hansmann,W Nadler,UH Hansmann,

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Dynamics and optimal number of replicas in parallel tempering simulations. Journal Published:

PUBLICATION TYPE: Journal Article

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

VOLUME: 76

Page Numbers: 065701

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ISSN: 1539-3755

DAY: 4

MONTH: 12

YEAR: 2007

Dynamics and optimal number of replicas in parallel tempering simulations. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Dynamics and optimal number of replicas in parallel tempering simulations.

AFFILIATION: Department of Physics, Michigan Technological University, Houghton, Michigan, USA.

Country: United States

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MEDLINETA: Phys Rev E Stat Nonlin Soft Ma

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