Efficient Global Geometry Optimization of Atomic and Molecular Clusters

DOI10.1007/0-387-30927-6_6MaRDI QIDQ5427976zbMATH OpenOpenAlexFDO

Authors Bernd Hartke

Publication date 27 November 2007

Published in Global Optimization (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/0-387-30927-6_6

zbMATH Keywords

genetic algorithmsglobal cluster geometry optimizationrandom search

Mathematics Subject Classification ID

Approximation methods and heuristics in mathematical programming (90C59) Applications of mathematical programming (90C90) Classical flows, reactions, etc. in chemistry (92E20)

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Cited in

(21)

• Efficient algorithms for large scale global optimization: Lennard-Jones clusters
• Local search based heuristics for global optimization: atomic clusters and beyond
• Atomic cluster physics: new challenges for theory and experiment
• Geometric filtering of pairwise atomic interactions applied to the design of efficient statistical potentials
• Global optimization of Morse clusters by potential energy transformations
• Designing Efficient Evolutionary Algorithms for Cluster Optimization: A Study on Locality
• scientific article; zbMATH DE number 679858 (Why is no real title available?)
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• Physical Perspectives on the Global Optimization of Atomic Clusters
• GLOBAL CONFORMATION OPTIMIZATION OF MIXED CLUSTERS USING A GENETIC ALGORITHM
• Global optimization based on local searches
• Global optimization based on local searches
• Fast global optimization of difficult Lennard-Jones clusters
• An efficient optimization algorithm that hybridizes DFTB and DFT theories both operated within the modified basin hopping method
• Damped Arrow-Hurwicz algorithm for sphere packing
• The structure of atomic and molecular clusters, optimised using classical potentials
• The global optimization of \(\mathrm{Pt}_{13}\) cluster using the first-principle molecular dynamics with the quenching technique

Describes a project that uses

Uses Software

• Global Optimization Toolbox For Maple

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