Crystal structure prediction: theory, applications and challenges
نویسندگان
چکیده
منابع مشابه
USPEX - Evolutionary crystal structure prediction
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 fi...
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Using of colloids and polymeric microparticles are gradually increasing. It is observed that the positive effects of particles stems in both traditional applications such as column pickings, coatings and paints to more recent technologies in diagnostics, drug delivery and optical devices are well documented. This review focuses on importance of colloids and covers their applications on three le...
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Article history:Received 25 June 2012Received in revised form 20 September 2012Accepted 21 September 2012Available online 28 September 2012
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2005
ISSN: 0108-7673
DOI: 10.1107/s0108767305099472