An on-the-fly adaptive Monte Carlo framework for hierarchical kinetic process simulation
Kai Zhang, Bowei Pu, Pu Yu, Zhicong Lai, Da Wang, Bing He, Bang‐Gui Liu, Miao Xu, Maxim Avdeev, Siqi Shi
Topics & Concepts
Monte Carlo methodKinetic Monte CarloStatistical physicsComputer scienceBridging (networking)Probabilistic logicStochastic processMultiscale modelingProcess (computing)Kinetic energyModeling and simulationStochastic simulationWork (physics)Monte Carlo molecular modelingDynamic Monte Carlo methodProcess modelingProcess simulationMathematical optimizationIonic bondingConductorVoltageTransient (computer programming)Stochastic modellingCatalytic Processes in Materials ScienceMachine Learning in Materials ScienceCatalysis and Oxidation Reactions