Paper
22 March 1999 Genetic algorithm for designing materials
Gene A. Tagliarini, Edward W. Page, M. Rene Surgi
Author Affiliations +
Abstract
This paper describes a genetic algorithm for designing materials. The genetic algorithm uses knowledge of the contributions that certain chemical fragments make to desired molecular properties. The technique proposes collections of fragments that, when combined into a molecule, are likely to possess specific properties. The proposed molecules can be assessed in a laboratory in order to confirm the degree to which property goals are met. In addition to proposing reasonable candidate materials, the genetic algorithm is both robust and flexible; it can be modified to include additional properties, to favor specific properties, or to enforce differing assumptions about the molecule structure of the materials considered. The genetic algorithm also possesses the potential to deliver candidates in a timely fashion.
© (1999) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Gene A. Tagliarini, Edward W. Page, and M. Rene Surgi "Genetic algorithm for designing materials", Proc. SPIE 3722, Applications and Science of Computational Intelligence II, (22 March 1999); https://doi.org/10.1117/12.342887
Advertisement
Advertisement
RIGHTS & PERMISSIONS
Get copyright permission  Get copyright permission on Copyright Marketplace
KEYWORDS
Genetic algorithms

Molecules

Terbium

Algorithm development

Molecular assembly

Model-based design

Gallium

Back to Top