Crystal structure prediction and its application in earth and materials sciences

Topics in Current Chemistry

Volumn 345, Issue , 2014, Pages 223-256

  Zhu, Qiang ^a   Oganov, Artem R ^a,b,c   Zhou, Xiang Feng ^a,d  

^a STONY BROOK UNIVERSITY   (United States)

^b MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

^c NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^d NANKAI UNIVERSITY   (China)

Author keywords

Ab initio simulations; Crystal structure prediction; Density functional theory; High pressure Novel compounds; Molecular crystals; Variable composition

Indexed keywords

EID: 84923929341     PISSN: 03401022     EISSN: None     Source Type: Book Series    
DOI: 10.1007/128_2013_508     Document Type: Article

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