Global optimization for molecular conformation problems

DOI10.1007/BF02023173zbMath0774.90088MaRDI QIDQ2368095

Costas D. Maranas, Christodoulos A. Floudas

Publication date: 23 August 1993

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

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)

Related Items (12)

Improvement on the Northby algorithm for molecular conformation: Better solutions ⋮ Improved bounds for interatomic distance in Morse clusters ⋮ Finding all solutions of nonlinearly constrained systems of equations ⋮ Risk-averse traffic assignment with elastic demands: NCP formulation and solution method for assessing performance reliability ⋮ Solving long-term financial planning problems via global optimization ⋮ A framework for globally optimizing mixed-integer signomial programs ⋮ Convergence rate of McCormick relaxations ⋮ Enhancing PSO methods for global optimization ⋮ Convergence of the (GOP) algorithm for a large class of smooth optimization problems ⋮ Rigorous convex underestimators for general twice-differentiable problems ⋮ Optimization methods for computing global minima of nonconvex potential energy functions ⋮ Global minimum potential energy conformations of small molecules

Uses Software

• MINOS

Cites Work

• Optimization by Simulated Annealing
• A Monte Carlo simulated annealing approach to optimization over continuous variables
• Generalized Benders decomposition
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item

This page was built for publication: Global optimization for molecular conformation problems