6533b7cffe1ef96bd12590a4
RESEARCH PRODUCT
Replica-exchange molecular dynamics simulation for supercooled liquids
Ryoichi YamamotoWalter Kobsubject
Canonical ensemblePhysicsMolecular dynamicsStatistical Mechanics (cond-mat.stat-mech)ReplicaMonte Carlo methodSoft Condensed Matter (cond-mat.soft)FOS: Physical sciencesFunction (mathematics)Statistical physicsCondensed Matter - Soft Condensed MatterSupercoolingCondensed Matter - Statistical Mechanicsdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2000-01-04 | Physical Review E |