A genetic algorithm for the atomistic design and global optimisation of substitutionally disordered materials
Materials Science
2008-09-10 v1 Disordered Systems and Neural Networks
Abstract
We present a genetic algorithm for the atomistic design and global optimisation of substitutionally disordered bulk materials and surfaces. Premature convergence which hamper conventional genetic algorithms due to problems with synchronisation is avoided using a symmetry adapted crossover. The algorithm outperforms previously reported Monte Carlo and genetic algorithm simulations for finding low energy minima of two simple alloy models without the need for any redesign.
Cite
@article{arxiv.0809.1613,
title = {A genetic algorithm for the atomistic design and global optimisation of substitutionally disordered materials},
author = {Chris E. Mohn and Walter Kob},
journal= {arXiv preprint arXiv:0809.1613},
year = {2008}
}
Comments
9 pages, 4 figures, presented on E-MRS Fall Meeting 2007