A GA-simplex hybrid algorithm for global minimization of molecular potential energy functions

DOI10.1007/s10479-005-2453-2zbMath1091.90083OpenAlexW2054094523WikidataQ62562217 ScholiaQ62562217MaRDI QIDQ817143

Helio J. C. Barbosa, Fernanda M. P. Raupp, Carlile C. Lavor

Publication date: 7 March 2006

Published in: Annals of Operations Research (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10479-005-2453-2

zbMATH Keywords

global optimizationgenetic algorithmhybrid algorithmpotential energy functions

Mathematics Subject Classification ID

Nonconvex programming, global optimization (90C26) Approximation methods and heuristics in mathematical programming (90C59)

Related Items (2)

Optimal determination of the parameters of some biased estimators using genetic algorithm ⋮ A continuous variable neighborhood search heuristic for finding the three-dimensional structure of a molecule

Uses Software

• Genocop

Cites Work

• A function to test methods applied to global minimization of potential energy of molecules
• Optimization methods for computing global minima of nonconvex potential energy functions
• Global minimum potential energy conformations of small molecules
• A Simplex Method for Function Minimization
• Sequential Application of Simplex Designs in Optimisation and Evolutionary Operation
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