Kurzbeschreibung Gathering leading specialists in the field of structure prediction, this book provides a unique view of this complex and rapidly developing field. A summary of the major achievements in recent years and of the remaining challenges make the book very timely.
Aus dem Inhalt 1. Introduction: The Problem and some basic Concepts 2. Periodic-graph Approaches in Crystal Structure Prediction 3. Energy Landscapes 4. Random and Quasirandom Sampling Methods 5. Simulated Annealing for Crystal Structure Prediction 6. Metadynamics 7. Minima Hopping Methods 8. Evolutionary Algorithms for Crystal Structure Prediction 9. Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular Dynamics Appendix "Blind Test" for Inorganic Structure Prediction
