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Wavelet Boundary Element Methods for the Polarizable Continuum Model Harbrecht, Helmut
Description
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.
Item Metadata
Title |
Wavelet Boundary Element Methods for the Polarizable Continuum Model
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Creator | |
Publisher |
Banff International Research Station for Mathematical Innovation and Discovery
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Date Issued |
2016-01-25T17:10
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Description |
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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Extent |
30 minutes
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Subject | |
Type | |
File Format |
video/mp4
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Language |
eng
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Notes |
Author affiliation: University of Basel
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Series | |
Date Available |
2016-07-26
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Provider |
Vancouver : University of British Columbia Library
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Rights |
Attribution-NonCommercial-NoDerivatives 4.0 International
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DOI |
10.14288/1.0306936
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URI | |
Affiliation | |
Peer Review Status |
Unreviewed
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Scholarly Level |
Faculty
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Rights URI | |
Aggregated Source Repository |
DSpace
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Item Media
Item Citations and Data
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International