Parallelized event chain algorithm for dense hard sphere and polymer systems
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Publication:728820
DOI10.1016/J.JCP.2014.10.059zbMATH Open1351.82120arXiv1409.6948OpenAlexW2085513175MaRDI QIDQ728820FDOQ728820
Authors: Tobias A. Kampmann, Horst-Holger Boltz, Jan Kierfeld 
Publication date: 20 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensure detailed balance on the level of Monte Carlo sweeps by drawing the starting sphere of event chains within each simulation cell with replacement. We analyze the performance gains for the parallelized event chain and find a criterion for an optimal degree of parallelization. Because of the cluster nature of event chain moves massive parallelization will not be optimal. Finally, we discuss first applications of the event chain algorithm to dense polymer systems, i.e., bundle-forming solutions of attractive semiflexible polymers.
Full work available at URL: https://arxiv.org/abs/1409.6948
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Cited In (5)
- Enhanced sampling in simulations of dense systems
- Event-driven molecular dynamics in parallel.
- \textsc{JeLLyFysh}-version1.0 -- a Python application for all-atom event-chain Monte Carlo
- PDMP characterisation of event-chain Monte Carlo algorithms for particle systems
- Sampling algorithms in statistical physics: a guide for statistics and machine learning
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