Numerical method for coupling the macro and meso scales in stochastic chemical kinetics
Stochastic partial differential equations (aspects of stochastic analysis) (60H15) Numerical solutions to stochastic differential and integral equations (65C30) Method of lines for initial value and initial-boundary value problems involving PDEs (65M20) Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60) Chemical kinetics in thermodynamics and heat transfer (80A30) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31)
The authors develop a numerical method for simulation of stochastic chemical reaction system modeled by the Fokker-Planck equation for the probability density of the molecular state. Under the assumption that most of the molecular species have a normal distribution with a small variance, the dimension of the domain of the equation is reduced. The method preserves properties of the analytic solution such as non-negativity and constant total probability and is applied to a nine dimensional problem modeling an oscillating molecular clock.
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- Hybrid method for the chemical master equation
- Conservative solution of the Fokker-Planck equation for stochastic chemical reactions
- Parallel in time simulation of multiscale stochastic chemical kinetics
- scientific article; zbMATH DE number 5545219
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- Stochastic phase-space description for reactions that change particle numbers
- A stochastic hybrid approximation for chemical kinetics based on the linear noise approximation
- Hybrid method for the chemical master equation
- Dimensional Reduction of the Fokker–Planck Equation for Stochastic Chemical Reactions
- Parallel in time simulation of multiscale stochastic chemical kinetics
- Physically consistent simulation of mesoscale chemical kinetics: the non-negative FIS- method
- Adaptive finite element method assisted by stochastic simulation of chemical systems
- Convergence of methods for coupling of microscopic and mesoscopic reaction-diffusion simulations
- Conservative solution of the Fokker-Planck equation for stochastic chemical reactions
- A numerical scheme for optimal transition paths of stochastic chemical kinetic systems
- Improving the numerical convergence of viscous-plastic sea ice models with the Jacobian-free Newton-Krylov method
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