scientific article; zbMATH DE number 2068065

MaRDI QIDQ4464673zbMATHFDO

Authors Carlile Lavor, Nelson Maculan

Publication date 27 May 2004

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Approximation methods and heuristics in mathematical programming (90C59) Abstract computational complexity for mathematical programming problems (90C60)

Recommendations

• Analytic evaluation of the gradient and Hessian of molecular potential energy functions
• Publication:4863370
• A GA-simplex hybrid algorithm for global minimization of molecular potential energy functions
• An efficient multigrid strategy for large-scale molecular mechanics optimization
• A data‐driven approach for reduction of molecular simulations
• Publication:4863345
• Automated parameterization of intermolecular pair potentials using global optimization techniques
• Gradient type optimization methods for electronic structure calculations

Cited in

(4)

• A short note on the fast evaluation of dihedral angle potentials and their derivatives
• Analytic evaluation of the gradient and Hessian of molecular potential energy functions
• Analytical and numerical calculations of interatomic forces and stresses
• scientific article; zbMATH DE number 841196 (Why is no real title available?)

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 Q4464673)