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• W2080921936 abstract "A coarse-time-step method is presented that enables the execution of multiple events at each time increment of microscopic-lattice kinetic Monte Carlo simulations. The method employs the n-fold method to create groups of reactions in which the tau-leap algorithm of Gillespie, originally proposed for well-mixed systems, is applied. Creation of groups of reactions is an essential step to avoid violation of the leap condition that arises when the tau-leap algorithm is applied to a single site. The method is general, very easy to implement, and can result in substantial computational savings when global updating is employed. An illustrative example from crystal growth of a simple cubic lattice with the solid-on-solid approximation is presented." @default.
• W2080921936 created "2016-06-24" @default.
• W2080921936 creator A5066110304 @default.
• W2080921936 date "2008-10-30" @default.
• W2080921936 modified "2023-10-10" @default.
• W2080921936 title "Temporal coarse-graining of microscopic-lattice kinetic Monte Carlo simulations via<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>τ</mml:mi></mml:math>leaping" @default.
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• W2080921936 doi "https://doi.org/10.1103/physreve.78.046713" @default.
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