Atomic structure prediction of nanostructures, clusters and surfaces /

• Κύριος συγγραφέας: Ciobanu, Cristian V.
• Άλλοι συγγραφείς: Wang, Cai-Zhuang, Ho, Kai-Ming
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Weinheim, Germany : Wiley-VCH Verlag Gmbh, [2013]
• Θέματα: 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 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 s. 

 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.