Pattern Search Methods for User-Provided Points: Application to Molecular Geometry Problems

DOI10.1137/S1052623400377955MaRDI QIDQ4651990zbMATH OpenOpenAlexWikidataFDO

Authors Pedro Alberto, Fernando Nogueira, Humberto Rocha, L. N. Vicente

Publication date 23 February 2005

Published in SIAM Journal on Optimization (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1137/s1052623400377955

zbMATH Keywords

parallel computingpattern search methodsgeometrical transformationsmolecular geometryexpensive function evaluationsuser-provided points

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Nonlinear programming (90C30) Numerical methods based on nonlinear programming (49M37) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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• On the properties of positive spanning sets and positive bases
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• The determination of point groups from imprecise molecular geometries

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