Reliable kinetic Monte Carlo simulation based on random set sampling

DOI10.1007/S00500-013-1013-YMaRDI QIDQ889882zbMATH OpenOpenAlexFDO

Authors Yan Wang

Publication date 9 November 2015

Published in Soft Computing (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s00500-013-1013-y

zbMATH Keywords

chemical reactionsdifferential Chapman-Kolmogorov equationinterval probabilitykinetic Monte Carlomulti-event algorithmnumerical examplesphase transitionsrare eventsuncertaintyweak convergence

Mathematics Subject Classification ID

PDEs in connection with statistics (35Q62) Monte Carlo methods (65C05) General methods in interval analysis (65G40) Chemically reacting flows (80A32)

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Cites work

• Calculus for interval functions of a real variable
• Clouds, fuzzy sets, and probability intervals
• Coarse-grained stochastic processes for microscopic lattice systems
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• Modal intervals
• Nested stochastic simulation algorithms for chemical kinetic systems with multiple time scales
• The theory of interval-probability as a unifying concept for uncertainty
• Theory of Random Sets
• Upper and Lower Probabilities Induced by a Multivalued Mapping

Cited in

(3)

• An interval-based approach to model input uncertainty in M/M/1 simulation
• On 7-valent symmetric Cayley graphs of finite simple groups
• Fast electrostatic solvers for kinetic Monte Carlo simulations

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