Regensburg 2013 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 22: Statistical Physics (general)

DY 22.7: Vortrag

Mittwoch, 13. März 2013, 17:00–17:15, H48

Massively parallel Monte Carlo for many-particle simulations on GPUs: Application to the liquid-hexatic transition of hard disks — Joshua A. Anderson, Eric Jankowski, Sharon C. Glotzer, and •Michael Engel — Chemical Engineering, University of Michigan, USA

Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little attention because of the inherent serial nature of the statistical sampling. In this talk, we present a massively parallel method that obeys detailed balance and its implementation for a system of hard disks on the GPU [1]. We reproduce results of serial high-precision Monte Carlo runs to verify the method [2]. This is a good test case because the hard disk equation of state over the range where the liquid transforms into the solid is particularly sensitive to small deviations away from the balance conditions. Our results confirm the first-order nature of the hard disk liquid-hexatic phase transition. Phase coexistence is visualized for individual configurations via the local orientations, and positional correlation functions are computed. The performance of our method to sample configuration space and approach equilibrium is compared with the local Monte Carlo method, the event-chain Monte Carlo algorithm, and event-driven molecular dynamics.

[1] J.A. Anderson et al., arXiv:1211.1646

[2] J.A. Anderson et al., arXiv:1211.1645