Transition between reaction-controlled and diffusion-controlled regimes in stochastic reaction diffusion systems

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Prof. André Leier (University of Alabama at Birmingham)


Over the past two decades, various modelling and simulation approaches have been proposed for stochastic reaction-diffusion processes. These include compartment-based (and event-based) algorithms such as the Next Subvolume Method (NSVM), which is based on the Reaction Diffusion Master Equation formalism, and particle-based (and time-driven) Brownian dynamics (BD) models such as Smoluchowski dynamics (Smoldyn), and Green’s Function Reaction Dynamics. In this presentation, we discuss the performance of NSVM and Smoluchowski-theory based algorithms in the context of reaction-limited and diffusion-limited scenarios and further propose a hybrid NSVM-BD algorithm for the stochastic simulation of reaction diffusion systems that display both reaction-limited and diffusion-limited regimes. Through various examples we show that our algorithm is able to accurately capture both the macroscopic and the microscopic limit, simultaneously, and can also display the transition regime between the high concentration and the low concentration (or diffusive search) scenario.

Primary authors

Prof. André Leier (University of Alabama at Birmingham) Prof. Tatiana Marquez Lago (University of Alabama at Birmingham)

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