◇英文原版书 Modern Methods of Crystal Structure Prediction
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作者Artem R. Oganov
出版社Wiley-VCH; 1 edition (January 18, 2011)
ISBN9783527409396
出版时间2011
装帧精装
货号通75
上书时间2022-05-31
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Modern Methods of Crystal Structure Prediction
by Artem R. Oganov (Editor)
Hardcover: 274 pages
Publisher: Wiley-VCH; 1 edition (January 18, 2011)
Language: English
ISBN-10: 3527409394
ISBN-13: 978-3527409396
Product Dimensions: 7 x 0.7 x 9.7 inches
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.
Review
"The book provides a summary of the major achievements in recent years, as well as the challenges that still remain". (PhysOrg.com, 5 January 2011)
From the Back Cover
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
About the Author
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.
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