A Research of Convergence of Multi-Population Binary and Real Genetic Algorithms for Solution of Crystal Structure from X-Ray Powder Diffraction Data | Научно-инновационный портал СФУ

A Research of Convergence of Multi-Population Binary and Real Genetic Algorithms for Solution of Crystal Structure from X-Ray Powder Diffraction Data

Тип публикации: доклад, тезисы доклада, статья из сборника материалов конференций

Конференция: Asia-Pacific Materials Science and Information Technology Conference (2014 : Shanghai, China); Shanghai, China; Shanghai, China

Год издания: 2014

Аннотация: The approach for automated crystal structure solution from X-Ray powder diffraction data based on the multi-population parallel genetic algorithm (MPGA) combined with the Rietveld-like Derivative Difference Minimization method is described. It is proven with representative examples that the MPGA convergence rate is much higher than that of the single-population GA.?The approach for the automated crystal structure solution from X-Ray powder diffraction data based on the multi-population parallel genetic algorithm (MPGA) combined with the Rietveld-like derivative difference minimization method is described. It is proven with representative examples that the MPGA convergence rate is much higher than that of the single-population GA, and that the MPGA can successfully solve more complex crystal structures. The method will be improved further.

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Издание

Журнал: Asia-Pacific Materials Science and Information Technology Conference (APMSIT 2014)

Выпуск журнала: 1096

Номера страниц: 616

Издатель: Trans Tech Publications Ltd.

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