Molecular conformation on the CM-5 by parallel two-level simulated annealing

DOI10.1007/BF01096722zbMath0797.90119MaRDI QIDQ1319005

Guoliang Xue

Publication date: 12 April 1994

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

zbMATH Keywords

global optimizationLennard-Jones clustersmolecular conformationparallel algorithmstwo- level simulated annealing

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Combinatorial optimization (90C27) Biochemistry, molecular biology (92C40) Parallel numerical computation (65Y05)

Related Items

An iterative global optimization algorithm for potential energy minimization, Optimal atomic-resolution structures of prion AGAAAAGA amyloid fibrils, An application of a global optimization parametrization method on macromolecular structure problem, Parallel continuous simulated annealing for global optimization simulated annealing^∗, Optimization methods for computing global minima of nonconvex potential energy functions, A quadratic assignment formulation of the molecular conformation problem

Uses Software

• L-BFGS
• simannf90

Cites Work

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• Optimization by Simulated Annealing
• On the limited memory BFGS method for large scale optimization
• Genetic algorithms and very fast simulated reannealing: A comparison
• Very fast simulated re-annealing
• Bayesian stopping rules for multistart global optimization methods
• Minimizing multimodal functions of continuous variables with the “simulated annealing” algorithm—Corrigenda for this article is available here
• A Quantitative Theory of Genetic Recombination and Chiasma Formation