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J Chem Phys. 2012 Apr 28;136(16):164107. doi: 10.1063/1.4704808.

Hybrid finite element and Brownian dynamics method for diffusion-controlled reactions.

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1
Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.

Abstract

Diffusion is often the rate determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. This paper proposes a new hybrid diffusion method that couples the strengths of each of these two methods. The method is derived for a general multidimensional system, and is presented using a basic test case for 1D linear and radially symmetric diffusion systems.

PMID:
22559470
PMCID:
PMC3350536
DOI:
10.1063/1.4704808
[Indexed for MEDLINE]
Free PMC Article
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