Modern methods of crystal structure prediction
By: edited by Artem R. Oganov
Contributors: Wiley online library
Publisher: Wiley-VCH; John Wiley [distributor]
Published: 2010
Place of publication: Weinheim; Chichester
Language: eng
Format: [electronic resource] /
ISBN-13: 9783527632831
Subjects: Crystallization; Computer simulation; Structure; Crystals
Notes: Electronic reproduction. Hoboken, N.J. : Wiley InterScience, 2011. Mode of access: World Wide Web. System requirements: Web browser. Title from title screen (viewed on Jan. 4, 2011). Access may be restricted to users at subscribing institutions.
Table of contents: title: Introduction: Crystal Structure Prediction, a Formidable Problem; title: Periodic-Graph Approaches in Crystal Structure Prediction / Vladislav A Blatov, Davide M Proserpio; title: Energy Landscapes and Structure Prediction Using Basin-Hopping / David J Wales; title: Random Search Methods / William W Tipton, Richard G Hennig; title: Predicting Solid Compounds Using Simulated Annealing / J Christian Schon, Martin Jansen; title: Simulation of Structural Phase Transitions in Crystals: The Metadynamics Approach / Roman Martonak; title: Global Optimization with the Minima Hopping Method / Stefan Goedecker; title: Crystal Structure Prediction Using Evolutionary Approach / Andriy O Lyakhov, Artem R Oganov, Mario Valle; title: Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular Dynamics / Stefano Leoni, Salah Eddine Boulfelfel; title: Colour Plates; title: Appendix: First Blind Test of Inorganic Crystal Structure Prediction Methods.