Dresden 2014 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 22: Statistical Physics (general)

DY 22.2: Vortrag

Mittwoch, 2. April 2014, 15:15–15:30, ZEU 160

parQ - Infinite Temperature Transition Matrix Monte Carlo in the Canonical and Grand Canonical Ensemble — •René Haber and Karl Heinz Hoffmann — Institut für Physik, Technische Universität Chemnitz, Chemnitz, Germany

We investigate properties of our transition matrix Monte Carlo method parQ[1] in the canonical and grand canonical ensemble. It estimates the transition probabilities at infinite temperature in a given macrostate range by counting all proposed transitions during a simulation. At the end of the simulation the eigenvector corresponding to the eigenvalue 1 is calculated, which can be identified as the density of states. The method is easily parallelizable and can be combined with different sampling schemes like standard Metropolis sampling, Wang-Landau sampling as well as transition matrix Monte Carlo. The influence of different sampling schemes and different eigenvector solving algorithms is presented.

[1] F. Heilmann and K. H. Hoffmann. Europhysics Letters, 70(2):155-161, 2005.