scientific article; zbMATH DE number 1058965

zbMATH Open0894.90173MaRDI QIDQ4353372FDOQ4353372

Authors: Wilfried Bollweg, Helmut Maurer, Herbert Kroll 

Publication date: 27 October 1997

Title of this publication is not available (Why is that?)

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zbMATH Keywords

simulated annealingglobal optimizationchemical engineeringpotential energy functionprediction of crystal structures

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Combinatorial optimization (90C27) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cited In (6)

• Crystal structure prediction via oblivious local search
• How to predict very large and complex crystal structures
• Determination of discrete relaxation spectra using simulated annealing.
• Pauling's rules guided Monte Carlo search (PAMCARS): a shortcut of predicting inorganic crystal structures
• Entropic Trust Region for Densest Crystallographic Symmetry Group Packings
• Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry

Uses Software

• simannf90

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