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Cover image for product 3527409394
Oganov
ISBN: 978-3-527-40939-6
Hardcover
274 pages
November 2010
This is an out of stock title.
  • Description
  • Table of Contents
  • Author Information
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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.

FROM THE CONTENTS:

  • Introduction: the problem and some basic concepts
  • Periodic-graph approaches in crystal structure prediction
  • Energy landscapes and structure prediction using basin-hopping
  • Random and quasirandom sampling methods
  • Predicting solid compounds using simulated annealing
  • Simulation of structural phase transitions in crystals: the metadynamics approach
  • Minima Hopping Methods
  • Evolutionary Algorithms for Crystal Structure Prediction
  • Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular Dynamics
  • Appendix "Blind Test" for Inorganic Structure Prediction
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