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Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
Abstract
A review is presented of the design and application of genetic algorithms for the geometry optimisation of clusters and nanoparticles, where the interactions between atoms, ions or molecules are described by a variety of potential energy functions. A general introduction to genetic algorithms is followed by a detailed description of the genetic algorithm program that we have developed to identify the lowest energy isomers for a variety of atomic and molecular clusters. Examples are presented of its application to model Morse clusters, ionic MgO clusters and bimetallic “nanoalloy” clusters. Finally, a number of recent innovations and possible future developments are discussed.
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Cited by
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
Ferrando, R., Jellinek, J., & Johnston, R. L. (2008) · Chemical Reviews · doi:10.1021/cr040090g · Cited by 3,690
Self-citationStructural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
Baletto, F., & Ferrando, R. (2005) · Reviews of Modern Physics · doi:10.1103/revmodphys.77.371 · Cited by 1,811
Ab initio random structure searching
Pickard, C. J., & Needs, R. J. (2011) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/23/5/053201 · Cited by 1,302
Nanophotonic particle simulation and inverse design using artificial neural networks
Peurifoy, J., Shen, Y., Jing, L., Yang, Y., Cano-Renteria, F., DeLacy, B. G., Joannopoulos, J. D., Tegmark, M., & Soljačić, M. (2018) · Science Advances · doi:10.1126/sciadv.aar4206 · Cited by 964
ABCluster: the artificial bee colony algorithm for cluster global optimization
Zhang, J., & Dolg, M. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp04060d · Cited by 772
Metadata
- Authors
- Johnston, R. L.
- Venue
- Dalton Transactions
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2003
- Issue
- 22
- Pages
- 4193
- ISSN
- 1477-9226 (ISSN-L)
- 1477-9234
- OpenAlex
- W2149568574
- Cited by
- 661
- References
- 0
- FWCI
- 4.64
- Type
- journal article
- Language
- en
- Open access
- closed
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