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Numerical solution of the nonlinear Poisson–Boltzmann equation: Developing more robust and efficient methods

Numerical solution of the nonlinear Poisson–Boltzmann equation: Developing more robust and efficient methods

Abstract We present a robust and efficient numerical method for solution of the nonlinear Poisson‐Boltzmann equation arising in molecular biophysics. The equation is discretized with the box method, and solution of the discrete equations is accomplished with a global inexact‐Newton method, combined with linear multilevel techniques we have described in …