کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
501874 | 863664 | 2014 | 8 صفحه PDF | دانلود رایگان |
The kinetic Monte Carlo (kMC) method is used in many scientific fields in applications involving rare-event transitions. Due to its discrete stochastic nature, efforts to parallelize kMC approaches often produce unbalanced time evolutions requiring complex implementations to ensure correct statistics. In the context of parallel kMC, the sequential update technique has shown promise by generating high quality distributions with high relative efficiencies for short-range systems. In this work, we provide an extension of the sequential update method in a parallel context that rigorously obeys detailed balance, which guarantees exact equilibrium statistics for all parallelization settings. Our approach also preserves nonequilibrium dynamics with minimal error for many parallelization settings, and can be used to achieve highly precise sampling.
Journal: Computer Physics Communications - Volume 185, Issue 10, October 2014, Pages 2479–2486