Scaling behavior of genetic algorithms applied to surface structural determination by LEED

M. L. Viana; W. Simões e Silva; E. A. Soares; V. E. de Carvalho; C. M C de Castilho; M. A. Van Hove

doi:10.1016/j.susc.2008.09.017

Author(s)

M. L. Viana
W. Simões e Silva
E. A. Soares
V. E. de Carvalho
C. M C de Castilho
And 1 others

M. A. Van Hove

Detail(s)

Original language	English
Pages (from-to)	3395-3402
Journal / Publication	Surface Science
Volume	602
Issue number	21
Publication status	Published - 1 Nov 2008

Link(s)

DOI	DOI https://doi.org/10.1016/j.susc.2008.09.017 Final Published version
	Check@CityULib
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-54249119463&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(71080043-357b-4e9e-9878-a9a860c8bdca).html

Abstract

Surface structural determination by low energy electron diffraction (LEED) requires a fitting procedure between the theoretical and experimental I(V) curves. This fitting procedure is quantified through an R-factor methodology. However, the R-factor space topology presents a large number of local minima. Thus, the task of identifying the global minimum, i.e. the task of finding the correct surface structure, requires a global optimization method that is able to determine the surface structure of complex systems. In this work we present the results of the application of genetic algorithms to three different systems, including performance tests and a comparison with another optimization method previously applied to the LEED problem, simulated annealing. We also present a scaling relationship of the computational effort versus the number of parameters to be fitted for the genetic algorithm method. © 2008 Elsevier B.V. All rights reserved.

Research Area(s)

Genetic algorithm, Global optimization, LEED, R-factor, Surface structural determination

Citation Format(s)

[ RIS ] [ BibTeX ]

Scaling behavior of genetic algorithms applied to surface structural determination by LEED. / Viana, M. L.; Simões e Silva, W.; Soares, E. A. et al.
In: Surface Science, Vol. 602, No. 21, 01.11.2008, p. 3395-3402.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Viana, ML, Simões e Silva, W, Soares, EA, de Carvalho, VE, de Castilho, CMC & Van Hove, MA 2008, 'Scaling behavior of genetic algorithms applied to surface structural determination by LEED', Surface Science, vol. 602, no. 21, pp. 3395-3402. https://doi.org/10.1016/j.susc.2008.09.017

Viana, M. L., Simões e Silva, W., Soares, E. A., de Carvalho, V. E., de Castilho, C. M. C., & Van Hove, M. A. (2008). Scaling behavior of genetic algorithms applied to surface structural determination by LEED. Surface Science, 602(21), 3395-3402. https://doi.org/10.1016/j.susc.2008.09.017

Viana ML, Simões e Silva W, Soares EA, de Carvalho VE, de Castilho CMC, Van Hove MA. Scaling behavior of genetic algorithms applied to surface structural determination by LEED. Surface Science. 2008 Nov 1;602(21):3395-3402. doi: 10.1016/j.susc.2008.09.017

Viana, M. L. ; Simões e Silva, W. ; Soares, E. A. et al. / Scaling behavior of genetic algorithms applied to surface structural determination by LEED. In: Surface Science. 2008 ; Vol. 602, No. 21. pp. 3395-3402.