title: Hybrid finite element and Brownian dynamics method for diffusion-controlled reactions.
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.
authors.affiliation: Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.
authors.forename: Patricia
authors.initials: P
authors.lastname: Bauler
authors.forename: Gary A
authors.initials: GA
authors.lastname: Huber
authors.forename: J Andrew
authors.initials: JA
authors.lastname: McCammon
mesh_terms: D004058:Diffusion; D056004:Molecular Dynamics Simulation