Abstract
We consider multigrid and domain decomposition methods for the numerical solution of electrostatics problems arising in biophysics.We compare multigrid methods designed for discontinuous coefficients with domain decomposition methods, including comparisons of standard multigrid methods, algebraic multigrid methods, additive and multiplicative Schwarz domain decomposition methods, and acceleration of multigrid and domain decomposition methods with conjugate gradient methods.As a test problem, we consider a linearization of the Poisson-Boltzmann equation, which describes the electrostatic potential of a large complex biomolecule lying in an ionic solvent.
Keywords
Affiliated Institutions
Related Publications
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...
Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples
This article is the first of two articles on the adaptive multilevel finite element treatment of the nonlinear Poisson–Boltzmann equation (PBE), a nonlinear eliptic equation ari...
The reduced linear equation method in coupled cluster theory.
A numerical procedure for efficiently solving large systems of linear equations is presented. The approach, termed the reduced linear equation (RLE) method, is illustrated by so...
Solving the finite difference linearized Poisson‐Boltzmann equation: A comparison of relaxation and conjugate gradient methods
Abstract Comparisons have been made between relaxation methods and certain preconditioned conjugate gradient techniques for solving the system of linear equations arising from t...
Conjugate-Gradient Methods for Large-Scale Nonlinear Optimization.
Abstract : In this paper we discuss several recent conjugate-gradient type methods for solving large-scale nonlinear optimization problems. We demonstrate how the performance of...
Publication Info
- Year
- 1994
- Type
- other
- Pages
- 231-238
- Citations
- 2
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1090/conm/180/01975