© 2014

Prediction and Calculation of Crystal Structures

Methods and Applications

  • Sule Atahan-Evrenk
  • Alan Aspuru-Guzik

Part of the Topics in Current Chemistry book series (TOPCURRCHEM, volume 345)

Table of contents

  1. Front Matter
    Pages i-viii
  2. Constantinos C. Pantelides, Claire S. Adjiman, Andrei V. Kazantsev
    Pages 25-58
  3. Gregory J. O. Beran, Shuhao Wen, Kaushik Nanda, Yuanhang Huang, Yonaton Heit
    Pages 59-93
  4. Benjamin C. Revard, William W. Tipton, Richard G. Hennig
    Pages 181-222
  5. Qiang Zhu, Artem R. Oganov, Xiang-Feng Zhou
    Pages 223-256
  6. Back Matter
    Pages 291-294

About this book


The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Editors and affiliations

  • Sule Atahan-Evrenk
    • 1
  • Alan Aspuru-Guzik
    • 2
  1. 1.Dept. of Chemistry and Chemical BiologyHarvard UniversityCambridgeUSA
  2. 2.Dept. of Chemistry and Chemical BiologyHarvard UniversityCambridgeUSA

Bibliographic information

  • Book Title Prediction and Calculation of Crystal Structures
  • Book Subtitle Methods and Applications
  • Editors Sule Atahan-Evrenk
    Alan Aspuru-Guzik
  • Series Title Topics in Current Chemistry
  • Series Abbreviated Title Topics Current Chemistry
  • DOI
  • Copyright Information Springer International Publishing Switzerland 2014
  • Publisher Name Springer, Cham
  • eBook Packages Chemistry and Materials Science Chemistry and Material Science (R0)
  • Hardcover ISBN 978-3-319-05773-6
  • Softcover ISBN 978-3-319-34343-3
  • eBook ISBN 978-3-319-05774-3
  • Series ISSN 0340-1022
  • Series E-ISSN 1436-5049
  • Edition Number 1
  • Number of Pages VIII, 294
  • Number of Illustrations 40 b/w illustrations, 69 illustrations in colour
  • Topics Spectroscopy/Spectrometry
  • Buy this book on publisher's site
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