Computationally Efficient Technique for Nonlinear Poisson-Boltzmann Equation

摘要

Discretization of non-linear Poisson-Boltzmann Equation equations results in a system of non-linear equations with symmetric Jacobian. The Newton algorithm is the most useful tool for solving nonlinear equations. It consists of solving a series of linear system of equations (Jacobian system). In this article, we adaptively define the tolerance of the Jacobian systems. Numerical experiment shows that compared to the traditional method our approach can save a substantial amount of computational work. The presented algorithm can be easily incorporated in existing simulators.