Challenges of continuous global optimization in molecular structure prediction

DOI10.1016/j.ejor.2005.08.033zbMath1123.90084OpenAlexW2104739950MaRDI QIDQ877606

Kieran F. Lim, Gleb Beliakov

Publication date: 3 May 2007

Published in: European Journal of Operational Research (Search for Journal in Brave)

Full work available at URL: http://hdl.handle.net/10536/DRO/DU:30007158

zbMATH Keywords

global optimizationbranch and boundnonlinear programmingmolecular conformationcomputational chemistry

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Polyhedral combinatorics, branch-and-bound, branch-and-cut (90C57) Nonconvex programming, global optimization (90C26) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (2)

A novel differential evolution algorithm using local abstract convex underestimate strategy for global optimization ⋮ Implementation of novel methods of global and nonsmooth optimization: GANSO programming library

Uses Software

• Global Optimization Toolbox For Maple
• LGO

Cites Work

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