BIRS Workshop Lecture Videos

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BIRS Workshop Lecture Videos

Wavelet Boundary Element Methods for the Polarizable Continuum Model Harbrecht, Helmut


The present talk is concerned with the rapid solution of boundary integral equations which arise from solvation continuum models. We apply a fully discrete wavelet Galerkin scheme for the computation of the apparent surface charge on solvent accessible and solvent excluded surfaces. This scheme requires parametric surfaces. We therefore developed a mesh generator which automatically constructs a parametrization of the molecular surface by four-sided patches. Numerical results are presented which demonstrate the feasibility and scope of our approach.

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