scientific article; zbMATH DE number 1058965

MaRDI QIDQ4353372zbMATH OpenFDO

Authors Wilfried Bollweg, Helmut Maurer, Herbert Kroll

Publication date 27 October 1997

zbMATH Keywords

chemical engineeringglobal optimizationpotential energy functionprediction of crystal structuressimulated annealing

Mathematics Subject Classification ID

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

Recommendations

• Crystal structure prediction via oblivious local search
• USPEX-evolutionary crystal structure prediction
• \texttt{XtalOpt}: an open-source evolutionary algorithm for crystal structure prediction
• scientific article; zbMATH DE number 1178280

Cited in

(7)

• Determination of discrete relaxation spectra using simulated annealing.
• Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry
• scientific article; zbMATH DE number 1178280 (Why is no real title available?)
• How to predict very large and complex crystal structures
• Pauling's rules guided Monte Carlo search (PAMCARS): a shortcut of predicting inorganic crystal structures
• Entropic Trust Region for Densest Crystallographic Symmetry Group Packings
• Crystal structure prediction via oblivious local search

Describes a project that uses

Uses Software

• simannf90

This page was built for publication:

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4353372)