The Effective Energy Transformation Scheme as a Special Continuation Approach to Global Optimization with Application to Molecular Conformation

DOI10.1137/S1052623493254698zbMATH Open0868.90116OpenAlexW2074738960MaRDI QIDQ4895620FDOQ4895620

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Publication date: 14 October 1996

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

Full work available at URL: https://doi.org/10.1137/s1052623493254698

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zbMATH Keywords

integral transformationcontinuation methodsmolecular conformation problemglobal energy minimizationfunction transformation scheme

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Nonlinear programming (90C30) Numerical methods based on nonlinear programming (49M37) Distributed algorithms (68W15)

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• A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians
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• Molecular conformation of \(n\)-alkanes using terrain/funneling methods
• Robust optimization of noisy blackbox problems using the mesh adaptive direct search algorithm
• Molecular distance geometry methods: from continuous to discrete
• A continuation approach to mode-finding of multivariate Gaussian mixtures and kernel density estimates
• A note on global optimization via the heat diffusion equation
• The DC (Difference of convex functions) programming and DCA revisited with DC models of real world nonconvex optimization problems
• Buffeting analysis: a numerical study on the extraction of equivalent static wind loads
• Interactive diffusions for global optimization
• Application of the renormalization group to deterministic global minimization of molecular conformation energy functions
• Derivative-Free Bayesian Inversion Using Multiscale Dynamics
• How to iron out rough landscapes and get optimal performances: averaged gradient descent and its application to tensor PCA

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