Hyperparallel tempering Monte Carlo simulation of polymeric systems
- 15 July 2000
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 113 (3), 1276-1282
- https://doi.org/10.1063/1.481905
Abstract
A new hyperparallel tempering Monte Carlo method is proposed for simulation of complex fluids, including polymeric systems. The method is based on a combination of the expanded grand canonical ensemble (or simple tempering) and the multidimensional parallel tempering techniques. Its usefulness is established by applying it to polymer solutions and blends with large molecular weights. Our numerical results for long molecules indicate that the new algorithm can be significantly more efficient than previously available techniques.Keywords
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