Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2001-12-04
Physics
Condensed Matter
Soft Condensed Matter
5 pages, 3 figures
Scientific paper
10.1103/PhysRevE.65.051202
Generation of equilibrium configurations is the major obstacle for numerical investigation of the slow dynamics in supercooled liquid states. The parallel tempering (PT) technique, originally proposed for the numerical equilibration of discrete spin-glass model configurations, has recently been applied in the study of supercooled structural glasses. We present an investigation of the ability of parallel tempering to properly sample the liquid configuration space at different temperatures, by mapping the PT dynamics into the dynamics of the closest local potential energy minima (inherent structures). Comparing the PT equilibration process with the standard molecular dynamics equilibration process we find that the PT does not increase the speed of equilibration of the (slow) configurational degrees of freedom.
Michele Cristiano de
Sciortino Francesco
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