6533b7dbfe1ef96bd12700d8

RESEARCH PRODUCT

Equilibrating Glassy Systems with Parallel Tempering

Ryoichi YamamotoTorsten StuhnWalter KobClaudio Brangian

subject

Mean squared displacementMolecular dynamicsMaterials scienceSpeedupFunction (mathematics)Statistical physicsParallel temperingSpin-flipFocus (optics)SupercoolingCondensed Matter::Disordered Systems and Neural Networks

description

We discuss the efficiency of the so-called parallel tempering method to equilibrate glassy systems also at low temperatures. The main focus is on two structural glass models, SiO2 and a Lennard-Jones system, but we also investigate a fully connected 10 state Potts-glass. By calculating the mean squared displacement of a tagged particle and the spin-autocorrelation function, we find that for these three glass-formers the parallel tempering method is indeed able to generate, at low temperatures, new independent configurations at a rate which is O(100) times faster than more traditional algorithms, such as molecular dynamics and single spin flip Monte Carlo dynamics. In addition we find that this speedup increases with decreasing temperature. The reliability of the results is checked by calculating the distribution of the energy at various temperatures and by showing that these can be mapped onto each other by the reweighting technique.

https://doi.org/10.1007/978-3-642-56577-9_18