Variable Neighborhood Search for Extremal Graphs. 2. Finding Graphs with Extremal Energy

@article{Caporossi1999VariableNS,
title={Variable Neighborhood Search for Extremal Graphs. 2. Finding Graphs with Extremal Energy},
author={Gilles Caporossi and Drago Cvetkovi and Ivan Gutman and Pierre Hansen},
journal={Journal of Chemical Information and Computer Sciences},
year={1999},
volume={39},
pages={984-996}
}

The recently developed Variable Neighborhood Search (VNS) metaheuristic for combinatorial and global optimization is outlined together with its specialization to the problem of finding extremal graphs with respect to one or more invariants and the corresponding program (AGX). We illustrate the potential of the VNS algorithm on the example of energy E, a graph invariant which (in the case of molecular graphs of conjugated hydrocarbons) corresponds to the total π-electron energy. Novel lower and… CONTINUE READING