Wavelet BEM on molecular surfaces: parametrization and implementation

Authors:
Helmut Harbrecht;Maharavo Randrianarivony
Affiliations:
Universität Bonn, Institut für Numerische Simulation, Wegelerstr. 6, 53115, Bonn, Germany;Universität Bonn, Institut für Numerische Simulation, Wegelerstr. 6, 53115, Bonn, Germany
Venue:
Computing
Year:
2009

Citing 11
Cited 1

A fast algorithm for particle simulations

Journal of Computational Physics
The rational cubic Be´zier representation of conics

Computer Aided Geometric Design
Fundamentals of computer aided geometric design

Fundamentals of computer aided geometric design
The NURBS book

The NURBS book
A sparse H -matrix arithmetic. Part II: application to multi-dimensional problems

Computing
Curves and surfaces for CAGD: a practical guide

Curves and surfaces for CAGD: a practical guide
Geometric Design with Trimmed Surfaces

Geometric Modelling, Dagstuhl, Germany, 1993
Wavelet Galerkin Schemes for Boundary Integral Equations---Implementation and Quadrature

SIAM Journal on Scientific Computing
Compression Techniques for Boundary Integral Equations---Asymptotically Optimal Complexity Estimates

SIAM Journal on Numerical Analysis
Necessary and sufficient conditions for rational quartic representation of conic sections

Journal of Computational and Applied Mathematics
From Computer Aided Design to wavelet BEM

Computing and Visualization in Science

Adaptive discontinuous Galerkin B-splines on parametric geometries

ICCSA'11 Proceedings of the 2011 international conference on Computational science and its applications - Volume Part IV

Quantified Score

Hi-index	0.00

Visualization

Abstract

The present paper is dedicated to the rapid solution of boundary integral equations arising from solvation continuum models. We apply a fully discrete wavelet Galerkin scheme for the computation of the apparent surface charge on van der Waals or solvent accessible surfaces. The molecular surface is described in parametric form as a set of four-sided spherical patches. Each patch is exactly represented as rational Bézier surface. Numerical results are reported to illustrate the approach.