Replica-exchange molecular dynamics simulation for supercooled liquids

Preprint

6 January 2000

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0001042

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 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.

Keywords

MOLECULAR DYNAMICS SIMULATION
EXCHANGE MOLECULAR
MONTE CARLO METHOD
REPLICA EXCHANGE
SUPERCOOLED
SIMULATION

All Related Versions

Version 1, 2000-01-05, ArXiv
Version 2, 2000-01-06, ArXiv
Published version: Physical Review E, 61 (5), 5473.

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