On analytical derivatives for geometry optimization in the polarizable continuum model

DOI10.1007/S10910-011-9865-9zbMath1304.82073OpenAlexW2037824723MaRDI QIDQ652707

Helmut Harbrecht

Publication date: 15 December 2011

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: http://doc.rero.ch/record/310114/files/10910_2011_Article_9865.pdf

zbMATH Keywords

boundary integral equationsshape derivativepolarizable continuum model

Mathematics Subject Classification ID

Statistical mechanics of liquids (82D15) Topological methods for optimization problems in solid mechanics (74P15)

Related Items (1)

Optimization of current carrying multicables

Cites Work

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• New applications of integral equations methods for solvation continuum models: Ionic solutions and liquid crystals
• Identification of a discontinuous source in the heat equation
• The free boundary of a flow in a porous body heated from its boundary
• Differentiation with Respect to the Domain in Boundary Value Problems
• The determination of a discontinuity in a conductivity from a single boundary measurement
• Boundary Element Methods

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