Inverse simulated annealing: Improvements and application to amorphous InSb
Los JH, Gabardi S, Bernasconi M, Kühne TD (2016)
Publication Type: Journal article
Publication year: 2016
Journal
Book Volume: 117
Pages Range: 7-14
DOI: 10.1016/j.commatsci.2016.01.017
Abstract
An improved inverse simulated annealing method is presented to determine the structure of complex disordered systems from first principles in agreement with available experimental data or desired predetermined target properties. The effectiveness of this method is demonstrated by revisiting the structure of amorphous InSb. Beside being more efficient than conventional quenching from the melt, the present approach results in a mostly tetrahedral structure, which is in excellent agreement with available experimental data.
Involved external institutions
Johannes Gutenberg-Universität Mainz (JGU)
Germany (DE)
University of Milano-Bicocca / Università degli Studi di Milano-Bicocca, UNIMIB
Italy (IT)
Universität Paderborn
Germany (DE)
Germany (DE)
University of Milano-Bicocca / Università degli Studi di Milano-Bicocca, UNIMIB
Italy (IT)
Universität Paderborn
Germany (DE)
How to cite
APA:
Los, J.H., Gabardi, S., Bernasconi, M., & Kühne, T.D. (2016). Inverse simulated annealing: Improvements and application to amorphous InSb. Computational Materials Science, 117, 7-14. https://doi.org/10.1016/j.commatsci.2016.01.017
MLA:
Los, Jan H., et al. "Inverse simulated annealing: Improvements and application to amorphous InSb." Computational Materials Science 117 (2016): 7-14.
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