Atomic Structure Prediction of Nanostructures, Clusters and Surfaces

Nonfiction, Science & Nature, Technology, Material Science
Cover of the book Atomic Structure Prediction of Nanostructures, Clusters and Surfaces by Cristian V. Ciobanu, Cai-Zhuan Wang, Kai-Ming Ho, Wiley
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Author: Cristian V. Ciobanu, Cai-Zhuan Wang, Kai-Ming Ho ISBN: 9783527655045
Publisher: Wiley Publication: February 14, 2013
Imprint: Wiley-VCH Language: English
Author: Cristian V. Ciobanu, Cai-Zhuan Wang, Kai-Ming Ho
ISBN: 9783527655045
Publisher: Wiley
Publication: February 14, 2013
Imprint: Wiley-VCH
Language: English

This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field.

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This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field.

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