Interval analysis applied to gobal minimization of potential energy functions.

zbMATH Open1049.90090MaRDI QIDQ2768053FDOQ2768053

Authors: Carlile Lavor, Nelson Maculan 

Publication date: 2001

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zbMATH Keywords

global optimizationbranch and boundmolecular conformations

Mathematics Subject Classification ID

Nonlinear programming (90C30) General methods in interval analysis (65G40)

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• Global energy minimization of alanine dipeptide via barrier function methods
• An iterative global optimization algorithm for potential energy minimization
• Optimization methods for computing global minima of nonconvex potential energy functions
• A function to test methods applied to global minimization of potential energy of molecules

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