Replica-exchange molecular dynamics simulation for supercooled liquids

Details Replica-exchange molecular dynamics simulation for supercooled liquids Replica-exchange molecular dynamics simulation for supercooled liquids

2000-01-05

arxiv.org/abs/cond-mat/0001042v2

Phys. Rev. E, 61, 5473 (2000)

Physics

Condensed Matter

Soft Condensed Matter

6 pages, 5 figures

Scientific paper

10.1103/PhysRevE.61.5473

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.

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