Global optimization for molecular conformation problems

DOI10.1007/BF02023173zbMATH Open0774.90088MaRDI QIDQ2368095FDOQ2368095

Authors: Costas D. Maranas, Christodoulos A. Floudas 

Publication date: 23 August 1993

Published in: Annals of Operations Research (Search for Journal in Brave)

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zbMATH Keywords

global minimummicroclustersprimal-relaxed dual global optimizationsequence of relaxed dual subproblemstight upper and lower bounds

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Nonlinear programming (90C30)

Cites Work

• A Monte Carlo simulated annealing approach to optimization over continuous variables
• Optimization by simulated annealing
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• Generalized Benders decomposition
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Cited In (26)

• Rigorous convex underestimators for general twice-differentiable problems
• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Risk-averse traffic assignment with elastic demands: NCP formulation and solution method for assessing performance reliability
• Title not available (Why is that?)
• Title not available (Why is that?)
• Parallel continuation-based global optimization for molecular conformation and protein folding
• Equivalent formulations and necessary optimality conditions for the Lennard-Jones problem
• Global minimum potential energy conformations of small molecules
• Optimization methods for computing global minima of nonconvex potential energy functions
• Improved bounds for interatomic distance in Morse clusters
• Improvement on the Northby algorithm for molecular conformation: Better solutions
• Finding all solutions of nonlinearly constrained systems of equations
• Enhancing PSO methods for global optimization
• A framework for globally optimizing mixed-integer signomial programs
• The Effective Energy Transformation Scheme as a Special Continuation Approach to Global Optimization with Application to Molecular Conformation
• Convergence rate of McCormick relaxations
• Convergence of the (GOP) algorithm for a large class of smooth optimization problems
• Title not available (Why is that?)
• Solving long-term financial planning problems via global optimization
• Application of the renormalization group to deterministic global minimization of molecular conformation energy functions
• Optimization of transition state structures using genetic algorithms
• Efficient Global Geometry Optimization of Atomic and Molecular Clusters

Uses Software

• MINOS

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