Skip Nav Destination
SPR Chemical Modelling
Chemical Modelling: Volume 12
Edited by
Michael Springborg;
Michael Springborg
University of Saarland, Germany
Search for other works by this author on:
Jan-Ole Joswig
Jan-Ole Joswig
Dresden University of Technology, Germany
Search for other works by this author on:
Volume
12
Hardback ISBN:
978-1-78262-115-7
PDF ISBN:
978-1-78262-270-3
EPUB ISBN:
978-1-78262-770-8
Special Collection:
2015 ebook collection
No. of Pages:
350
Publication date:
18 Nov 2015
Book Chapter
Structure prediction and its applications in computational materials design
By
Artem R. Oganov
;
Artem R. Oganov
Moscow Institute of Physics and Technology
Dolgoprudny city
Moscow
Russia
International Center for Materials Discovery, School of Materials Sciences and Engineering, Northwestern Polytechnical Univerisity
Xi'an
China
Search for other works by this author on:
Qingfeng Zeng
;
Qingfeng Zeng
International Center for Materials Discovery, School of Materials Sciences and Engineering, Northwestern Polytechnical Univerisity
Xi'an
China
Search for other works by this author on:
Xiangfeng Zhou
Xiangfeng Zhou
School of Physics, Nankai Univeristy
Tianjin
China
Search for other works by this author on:
-
Published:18 Nov 2015
-
Special Collection: 2015 ebook collection
Page range:
219 - 248
Citation
Q. Zhu, A. R. Oganov, Q. Zeng, and X. Zhou, in Chemical Modelling: Volume 12, ed. M. Springborg and J. Joswig, The Royal Society of Chemistry, 2015, vol. 12, pp. 219-248.
Download citation file:
Structure prediction has proved to be a powerful tool in computational design of materials. This review summarized principles of global optimization methods applied to structure prediction. We introduced the USPEX method based on evolutionary algorithms as a tool for structure prediction. In particular, we discussed its recent progress in search for new materials with variable stoichiometry and optimal physical properties, and its extension to various low-dimensional systems.
You do not currently have access to this chapter, but see below options to check access via your institution or sign in to purchase.
Digital access
$79.50
