An adaptive algorithm for simulation of stochastic reaction-diffusion processes
Journal of Computational Physics
Adaptive mesh refinement for stochastic reaction-diffusion processes
Journal of Computational Physics
Flexible single molecule simulation of reaction-diffusion processes
Journal of Computational Physics
Computational Biology and Chemistry
Reducing Complexity in Management of eScience Computations
CCGRID '12 Proceedings of the 2012 12th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (ccgrid 2012)
A First-Passage Kinetic Monte Carlo method for reaction-drift-diffusion processes
Journal of Computational Physics
Journal of Computational Physics
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We model stochastic chemical systems with diffusion by a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic level, the master equation for a well stirred chemical system is combined with a discretized Brownian motion in space to obtain the reaction-diffusion master equation. The space is covered in our method by an unstructured mesh, and the diffusion coefficients on the mesoscale are obtained from a finite element discretization of the Laplace operator on the macroscale. The resulting method is a flexible hybrid algorithm in that the diffusion can be handled either on the meso- or on the macroscale level. The accuracy and the efficiency of the method are illustrated in three numerical examples inspired by molecular biology.