USPEX—Evolutionary crystal structure prediction
Publication type: Journal Article
Publication date: 2006-12-01
scimago Q1
wos Q1
SJR: 1.946
CiteScore: 14.0
Impact factor: 3.4
ISSN: 00104655, 18792944
General Physics and Astronomy
Hardware and Architecture
Abstract
We approach the problem of computational crystal structure prediction, implementing an evolutionary algorithm—USPEX (Universal Structure Predictor: Evolutionary Xtallography). Starting from chemical composition we have tested USPEX on numerous systems (with up to 80 atoms in the unit cell) for which the stable structure is known and have observed a success rate of nearly 100%, simultaneously finding large sets of
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Total citations:
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GOST
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Glass C. W. et al. USPEX—Evolutionary crystal structure prediction // Computer Physics Communications. 2006. Vol. 175. No. 11-12. pp. 713-720.
GOST all authors (up to 50)
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Glass C. W., Hansen N., Oganov A. R. USPEX—Evolutionary crystal structure prediction // Computer Physics Communications. 2006. Vol. 175. No. 11-12. pp. 713-720.
Cite this
RIS
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TY - JOUR
DO - 10.1016/j.cpc.2006.07.020
UR - https://doi.org/10.1016/j.cpc.2006.07.020
TI - USPEX—Evolutionary crystal structure prediction
T2 - Computer Physics Communications
AU - Glass, Colin W.
AU - Hansen, Nikolaus
AU - Oganov, A. R.
PY - 2006
DA - 2006/12/01
PB - Elsevier
SP - 713-720
IS - 11-12
VL - 175
SN - 0010-4655
SN - 1879-2944
ER -
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BibTex (up to 50 authors)
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@article{2006_Glass,
author = {Colin W. Glass and Nikolaus Hansen and A. R. Oganov},
title = {USPEX—Evolutionary crystal structure prediction},
journal = {Computer Physics Communications},
year = {2006},
volume = {175},
publisher = {Elsevier},
month = {dec},
url = {https://doi.org/10.1016/j.cpc.2006.07.020},
number = {11-12},
pages = {713--720},
doi = {10.1016/j.cpc.2006.07.020}
}
Cite this
MLA
Copy
Glass, Colin W., et al. “USPEX—Evolutionary crystal structure prediction.” Computer Physics Communications, vol. 175, no. 11-12, Dec. 2006, pp. 713-720. https://doi.org/10.1016/j.cpc.2006.07.020.
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