scientific article; zbMATH DE number 1101495

MaRDI QIDQ4370904zbMATH OpenFDO

Authors Chung-Shang Shao, R. H. Byrd, Elizabeth Eskow, Robert B. Schnabel

Publication date 14 April 1998

zbMATH Keywords

large scale global optimizationLennard-Jones energy functionmolecular chemistrynumerical examplesproteinssmoothing

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Large-scale problems in mathematical programming (90C06) Nonlinear programming (90C30) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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