Approximate energy minimization for large Lennard-Jones clusters

DOI10.1023/A:1008306325145MaRDI QIDQ1583686zbMATH OpenOpenAlexFDO

Authors Yuefan Deng, Carlos Rivera

Publication date 30 October 2000

Published in Journal of Global Optimization (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1023/a:1008306325145

zbMATH Keywords

asymptotic convergenceglobal optimizationLennard-Jones clusters

Mathematics Subject Classification ID

Combinatorial optimization (90C27) Multi-objective and goal programming (90C29)

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• Minimal-energy clusters of hard spheres
• DC programming and DCA for challenging problems in bioinformatics and computational biology
• Fast global optimization of difficult Lennard-Jones clusters
• Lower bound for the interatomic distance in Lennard-Jones clusters
• The structure of atomic and molecular clusters, optimised using classical potentials

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