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Modern Methods of Crystal Structure Prediction
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Gewicht:
686 g
Format:
247x177x18 mm
Beschreibung:
Artem R. Oganov is a Full Professor at the Department of Geosciences and Physics and Astronomy of State University of New York at Stony Brook, USA. Professor Oganov has authored over 80 scientific publications. He holds several awards, including the University Latsis Prize, and awards from the European High-Pressure Research Group, the European Union of Geosciences, and the Geological Society of London, and invited professorships in Italy, France, Hong Kong, China and Russia.
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.
A summary of the major achievements over the last few years and of the challenges still remaining makes this monograph very timely.
.
A summary of the major achievements over the last few years and of the challenges still remaining makes this monograph very timely.
.
1. Introduction: The Problem and some basic Concepts2. Periodic-graph Approaches in Crystal Structure Prediction3. Energy Landscapes4. Random and Quasirandom Sampling Methods5. Simulated Annealing for Crystal Structure Prediction6. Metadynamics7. Minima Hopping Methods8. Evolutionary Algorithms for Crystal Structure Prediction9. Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular DynamicsAppendix "Blind Test" for Inorganic Structure Prediction
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. A summary of the major achievements over the last few years and of the challenges still remaining makes this monograph very timely.