Chapter 14 - Evolutionary Algorithms Applied to Electronic-Structure Informatics: Accelerated Materials Design Using Data Discovery vs. Data Searching

Created by W.Langdon from gp-bibliography.bib Revision:1.7615

@InCollection{Johnson:2013:IMSE,

• author = "Duane D. Johnson",
• title = "Chapter 14 - Evolutionary Algorithms Applied to Electronic-Structure Informatics: Accelerated Materials Design Using Data Discovery vs. Data Searching",
• editor = "Krishna Rajan",
• booktitle = "Informatics for Materials Science and Engineering",
• publisher = "Butterworth-Heinemann",
• address = "Oxford",
• year = "2013",
• pages = "349--364",
• isbn13 = "978-0-12-394399-6",
• DOI = "doi:10.1016/B978-0-12-394399-6.00014-X",
• URL = "http://www.sciencedirect.com/science/article/pii/B978012394399600014X",
• abstract = "We exemplify and propose extending the use of genetic programs (GPs) - a genetic algorithm (GA) that evolves computer programs via mechanisms similar to genetics and natural selection - to symbolically regress key functional relationships between materials data, especially from electronic structure. GPs can extract structure-property relations or enable simulations across multiple scales of time and/or length. Uniquely, GP-based regression permits {"}data discovery{"} - finding relevant data and/or extracting correlations (data reduction/data mining) - in contrast to searching for what you know, or you think you know (intuition). First, catalysis-related materials correlations are discussed, where simple electronic-structure-based rules are revealed using well-developed intuition, and then, after introducing the concepts, GP regression is used to obtain (i) a constitutive relation between flow stress and strain rate in aluminium, and (ii) multi-time-scale kinetics for surface alloys. We close with some outlook for a range of applications (materials discovery, excited-state chemistry, and multiscaling) that could rely primarily on density functional theory results.",
• keywords = "genetic algorithms, genetic programming, Electronic structure, Density functional theory, Evolutionary algorithms, Genetic programs, Informatics",

}

Genetic Programming entries for Duane D Johnson

Citations