Reliable computer simulation methods for electrostatic biomolecular models based on the Poisson-Boltzmann equation

Abstract

In this paper we have derived explicitly computable bounds on the error in energy norms for the fully nonlinear Poisson-Boltzmann equation. Together with the computable bounds, we have also obtained efficient error indicators which can serve as a basis for a reliable adaptive finite element algorithm.

36 pages, 8 figures, 16 tables