Electrostatic Force Computation with Boundary Element Methods

Improved Boundary Element Methods for Poisson-Boltzmann Electrostatic Potential and Force Calculations.

A patch representation differing from the traditional treatments in the boundary element method (BEM) is presented, which we call the constant "node patch" method. Its application to solving the Poisson-Boltzmann equation (PBE) demonstrates considerable improvement in speed compared with the constant element and linear element methods. In addition, for the node-based BEMs, we propose an efficie...

Computation of molecular electrostatics with boundary element methods.

In continuum approaches to molecular electrostatics, the boundary element method (BEM) can provide accurate solutions to the Poisson-Boltzmann equation. However, the numerical aspects of this method pose significant problems. We describe our approach, applying an alpha shape-based method to generate a high-quality mesh, which represents the shape and topology of the molecule precisely. We also ...

Parallel computation of inelastic problems with boundary element methods

The parallel performance and efficiency of boundary element methods in the solution of inelastic problems are investigated. A parallel algorithm based on the so-called initial stress scheme for inelastic analysis is developed and implemented in BEMGEO (Boundary Element Method program for GEOmechanics applications). Numerical examples solved on an SP2 of 34 thin nodes are presented which highlig...

Boundary element methods for potential problems with nonlinear boundary conditions

Galerkin boundary element methods for the solution of novel first kind Steklov–Poincaré and hypersingular operator boundary integral equations with nonlinear perturbations are investigated to solve potential type problems in twoand three-dimensional Lipschitz domains with nonlinear boundary conditions. For the numerical solution of the resulting Newton iterate linear boundary integral equations...

Boundary Concentrated Finite Element Methods