Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach.

Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach. Research Abstract Details 

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Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach. Abstract Text:

Sanghyun Park,

This paper addresses issues related to weights and acceptance rates in generalized ensemble simulations, while comparing two algorithms: serial (e.g., simulated tempering or expanded ensemble method) and parallel (e.g., parallel tempering or replica exchange). We derive a cumulant approximation for weights and discuss its effectiveness in practical applications. We compare the acceptance rates of the serial and parallel algorithms and prove that the serial algorithm always has higher acceptance rates. The duality between forward and backward transitions plays a crucial role in the derivations throughout the paper.

Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach. Publishing Authors By Initials

S Park,

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Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach. Journal Published:

PUBLICATION TYPE: Journal Article

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

VOLUME: 77

Page Numbers: 016709

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ISSN: 1539-3755

DAY: 18

MONTH: 01

YEAR: 2008

Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Comparison of the serial and parallel algorithms of generalized ensemble simulations: An analytical approach.

AFFILIATION: Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

Country: United States

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MEDLINETA: Phys Rev E Stat Nonlin Soft Ma

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