$Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm$

Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm

Significant gains in the performance of the simulated annealing algorithm in the DASH software package have been realized by using the irace automatic configuration tool to optimize the values of three key simulated annealing parameters. Specifically, the success rate in finding the global minimum i...

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Veröffentlicht in:	Journal of applied crystallography 2017-10, Vol.50 (5), p.1411-1420
Hauptverfasser:	Kabova, Elena A., Cole, Jason C., Korb, Oliver, López-Ibáñez, Manuel, Williams, Adrian C., Shankland, Kenneth
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Computer simulation Crystal structure crystal structure determination Diffraction parameter tuning Powder powder diffraction Simulated annealing Simulation Software
Online-Zugang:	Volltext
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