Literature DB >> 11031600

Replica-exchange molecular dynamics simulation for supercooled liquids

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Abstract

We investigate to what extend the replica-exchange Monte Carlo method is able to equilibrate a simple liquid in its supercooled state. We find that this method does indeed allow us to generate accurately the canonical distribution function even at low temperatures and that its efficiency is about 10-100 times higher than the usual canonical molecular dynamics simulation.

Year:  2000        PMID: 11031600     DOI: 10.1103/physreve.61.5473

Source DB:  PubMed          Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics        ISSN: 1063-651X


  7 in total

1.  Generalized replica exchange method.

Authors:  Jaegil Kim; Thomas Keyes; John E Straub
Journal:  J Chem Phys       Date:  2010-06-14       Impact factor: 3.488

2.  Optimal replica exchange method combined with Tsallis weight sampling.

Authors:  Jaegil Kim; John E Straub
Journal:  J Chem Phys       Date:  2009-04-14       Impact factor: 3.488

3.  Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations.

Authors:  Daniele Coslovich; Misaki Ozawa; Walter Kob
Journal:  Eur Phys J E Soft Matter       Date:  2018-05-17       Impact factor: 1.890

4.  Replica exchange statistical temperature Monte Carlo.

Authors:  Jaegil Kim; Thomas Keyes; John E Straub
Journal:  J Chem Phys       Date:  2009-03-28       Impact factor: 3.488

5.  Random pinning glass model.

Authors:  Smarajit Karmakar; Giorgio Parisi
Journal:  Proc Natl Acad Sci U S A       Date:  2013-02-04       Impact factor: 11.205

6.  A single-walker approach for studying quasi-nonergodic systems.

Authors:  Zilvinas Rimas; Sergei N Taraskin
Journal:  Sci Rep       Date:  2017-05-22       Impact factor: 4.379

7.  Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas.

Authors:  Federico Lucco Castello; Panagiotis Tolias
Journal:  Molecules       Date:  2021-01-28       Impact factor: 4.411

  7 in total

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