Hybrid finite element and Brownian dynamics method for charged particles
作者： Gary A. Huber , Yinglong Miao , Shenggao Zhou , Bo Li , J. Andrew McCammon
DOI: 10.1063/1.4947086
关键词:
摘要: Diffusion is often the rate-determining step in many biological processes. Currently, two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum finite element method. A previous study introduced a new hybrid method that couples strengths of each these but was limited by lack interactions among particles; force on particle had to be from an external field. This further develops allow charged particles. The derived general multidimensional system presented using basic test case one-dimensional linear with one species radially symmetric three species.
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