Reliable computer simulation methods for electrostatic biomolecular models based on the Poisson-Boltzmann equation
Numerical Analysis
2018-05-30 v1
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.
Cite
@article{arxiv.1805.11441,
title = {Reliable computer simulation methods for electrostatic biomolecular models based on the Poisson-Boltzmann equation},
author = {Johannes Kraus and Svetoslav Nakov and Sergey Repin},
journal= {arXiv preprint arXiv:1805.11441},
year = {2018}
}
Comments
36 pages, 8 figures, 16 tables