Atomic structure prediction of nanostructures, clusters and surfaces /

• Main Author: Ciobanu, Cristian V.
• Other Authors: Wang, Cai-Zhuang, Ho, Kai-Ming
• Format: eBook
• Language: English
• Published: Weinheim, Germany : Wiley-VCH Verlag Gmbh, [2013]
• Subjects: Atomic structure.; Nanostructures.; Nanostructured materials.; Nanotechnology.; SCIENCE > Physics > Quantum Theory.; Festkörper; Kristallstruktur; Zwischenatomare Kraft; Genetischer Algorithmus; Electronic books.

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 discipline...

Table of Contents:

• The challenge of predicting atomic structure
• The genetic algorithm in real-space representation
• Crystal structure prediction
• Optimization of atomic clusters
• Atomic structure of surfaces, interfaces, and nanowires
• Other methodologies for investigating atomic structure
• Perspectives and outlook
• Index.