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Gaining insights into the evolutionary behaviour in genetic algorithm calculations, with applications in structure solution from powder diffraction data
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Habershon, Scott, Harris, K. D. M., Johnston, R. L., Turner, G. W. and Johnston, J. M. (2002) Gaining insights into the evolutionary behaviour in genetic algorithm calculations, with applications in structure solution from powder diffraction data. Chemical Physics Letters, Vol. 353 (No. 3-4). p. 185. doi:10.1016/S0009-2614(01)01452-X ISSN 0009-2614.
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Official URL: http://dx.doi.org/10.1016/S0009-2614(01)01452-X
Abstract
A general strategy is introduced for analysing the evolutionary events that occur during a genetic algorithm calculation, and the application of this approach is illustrated for the specific case of understanding the evolutionary trajectory leading to the correct structure solution in structure determination from powder diffraction data. Methods providing visual representations of the evolution of the population during a genetic algorithm calculation are also introduced. It is demonstrated that our strategy can provide much more detailed insights concerning the evolutionary behaviour than was previously accessible, and can thus be exploited to further develop our genetic algorithm methodology. (C) 2002 Elsevier Science B.V. All rights reserved.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Journal or Publication Title: | Chemical Physics Letters | ||||
Publisher: | Elsevier BV | ||||
ISSN: | 0009-2614 | ||||
Official Date: | February 2002 | ||||
Dates: |
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Volume: | Vol. 353 | ||||
Number: | No. 3-4 | ||||
Page Range: | p. 185 | ||||
DOI: | 10.1016/S0009-2614(01)01452-X | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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