TCB Publications - Abstract

Gene Lamm and Klaus Schulten. Extended Brownian dynamics approach to diffusion-controlled processes. Journal of Chemical Physics, 75:365-371, 1981.

LAMM81 The method of Brownian dynamics to simulate trajectories of particles diffusing under the influence of external forces is extended to the approximation of local linear forces and to reflective boundaries possibly confining the diffusion space. A simple algorithm for the generation of random diffusive displacements is developed and its validity demonstrated by comparison with analytical and numerical descriptions of sample one-dimensional diffusion distributions.

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