Cited by 204Machine Learning in Materials ScienceEvolutionary Algorithms and ApplicationsMaterial Selection and Properties

Discovery and Optimization of Materials Using Evolutionary Approaches

Le, Tu C., Winkler, David A.·2016·Chemical Reviews

Abstract

Materials science is undergoing a revolution, generating valuable new materials such as flexible solar panels, biomaterials and printable tissues, new catalysts, polymers, and porous materials with unprecedented properties. However, the number of potentially accessible materials is immense. Artificial evolutionary methods such as genetic algorithms, which explore large, complex search spaces very efficiently, can be applied to the identification and optimization of novel materials more rapidly than by physical experiments alone. Machine learning models can augment experimental measurements of materials fitness to accelerate identification of useful and novel materials in vast materials composition or property spaces. This review discusses the problems of large materials spaces, the types of evolutionary algorithms employed to identify or optimize materials, and how materials can be represented mathematically as genomes, describes fitness landscapes and mutation operators commonly employed in materials evolution, and provides a comprehensive summary of published research on the use of evolutionary methods to generate new catalysts, phosphors, and a range of other materials. The review identifies the potential for evolutionary methods to revolutionize a wide range of manufacturing, medical, and materials based industries.

Integrity signals

Registry

Crossref · 10.1021/acs.chemrev.5b00691

Cites

86 of 86 references verified0 citation errors · 0 not checkable

Statistics

Recomputing p-values needs the paper’s full text.

Claims the paper makes

This paper’s full text isn’t openly available, so its claims and self-check weren’t run. The registry and citation checks still apply.

Cites

Flagged first, then by citations

Cited by

Sorted by citations

Authors
Le, T. C., & Winkler, D. A.
Affiliations
Commonwealth Scientific and Industrial Research Organisation (AU)
Corresponding author
Winkler, David A.
Venue
Chemical Reviews
Published
2016-05-12
Volume
116
Issue
10
Pages
6107-6132
ISSN
  • 0009-2665 (ISSN-L)
  • 1520-6890
OpenAlex
W2383894479
Cited by
204
References
86
Citations by year
2026: 18 · 2025: 20 · 2024: 14 · 2023: 18 · 2022: 20 · 2021: 20 · 2020: 32 · 2019: 26 · 2018: 17 · 2017: 12 · 2016: 7
FWCI
0.82
Type
journal article
Language
en
Open access
closed
Locations
  • Chemical Reviews (publishedVersion)
  • PubMed (publishedVersion)
  • RMIT Research Repository (RMIT University Library) (submittedVersion)
  • Figshare (submittedVersion)
Topics
  • Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
  • Physical Sciences › Computer Science › Artificial Intelligence › Evolutionary Algorithms and Applications
  • Physical Sciences › Materials Science › Materials Chemistry › Material Selection and Properties
Keywords
materials discovery, material optimization, artificial evolution, genetic algorithm, evolutionary algorithms, machine learning, mutation operator, catalysts, phosphors
MeSH terms
Machine Learning, Catalysis, Computer Simulation, Engineering, Membranes, Artificial, Oxides, Neural Networks, Computer, Computer-Aided Design, Metals, Heavy, Nanoparticles

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review