Hierarchical particle swarm optimizer for minimizing the non-convex potential energy of molecular structure

Author:

Cheung Ngaam J.,Shen Hong-Bin

Funder

China Scholarship Council

National Natural Science Foundation of China

Shanghai Science and Technology Commission

Foundation for the Author of National Excellent Doctoral Dissertation of PR China

Program for New Century Excellent Talents in University

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference37 articles.

1. Global minimum potential energy conformations of small molecules;Maranas;J. Glob. Optim,,1994

2. A continuous variable neighborhood search heuristic for finding the three-dimensional structure of a molecule;Dražić;Eur. J. Oper. Res.,2008

3. Minimization of molecular potential energy function using particle swarm optimization;Bansal;Int. J. Appl. Math. Mech.,2010

4. Fletcher–Reeves based particle swarm optimization for prediction of molecular structure;Agrawal;J. Mol. Graph. Model.,2014

5. Particle swarm optimization;Kennedy,1995

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