Modern methods of crystal structure prediction /

• Συγγραφή απο Οργανισμό/Αρχή: Wiley InterScience (Online service)
• Άλλοι συγγραφείς: Oganov, Artem R.
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Weinheim : Wiley-VCH ; 2010.
• Θέματα: Crystallization.; Crystals > Structure > Computer simulation.; SCIENCE > Physics > Crystallography.; Electronic books.

Gathering leading specialists in the field of structure prediction, this book provides a unique view of this complex and rapidly developing field, reflecting the numerous viewpoints of the different authors.℗¡The book℗¡summarises the major achievements℗¡of the last few years and also discusses the c...

Πίνακας περιεχομένων:

• Introduction: Crystal Structure Prediction, a Formidable Problem
• Periodic-Graph Approaches in Crystal Structure Prediction / Vladislav A Blatov, Davide M Proserpio
• Energy Landscapes and Structure Prediction Using Basin-Hopping / David J Wales
• Random Search Methods / William W Tipton, Richard G Hennig
• Predicting Solid Compounds Using Simulated Annealing / J Christian Schon, Martin Jansen
• Simulation of Structural Phase Transitions in Crystals: The Metadynamics Approach / Roman Martonak
• Global Optimization with the Minima Hopping Method / Stefan Goedecker
• Crystal Structure Prediction Using Evolutionary Approach / Andriy O Lyakhov, Artem R Oganov, Mario Valle
• Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular Dynamics / Stefano Leoni, Salah Eddine Boulfelfel
• Colour Plates
• Appendix: First Blind Test of Inorganic Crystal Structure Prediction Methods.