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Journal of applied crystallography, ISSN 1600-5767, 02/2020, Volume 53, Issue 1, pp. 226 - 235
.... has evolved alongside these scientific communities and is now a powerful analysis, design and prediction platform which goes a lot further than simple structure... 
crystal packing | crystal structure visualization | computer programs | structure comparison | Mercury | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Crystallography | Science & Technology | Data centers | Organic chemistry | Visualization | Crystals | Design analysis | Crystal structure | Structural analysis
Journal Article
Journal of computer-aided molecular design, ISSN 0920-654X, 1/2018, Volume 32, Issue 1, pp. 1 - 20
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 01/2014, Volume 140, Issue 4, pp. 040901 - 040901
Crystal structure prediction at high pressures unbiased by any prior known structure information has recently become a topic of considerable interest... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | First principles | Crystal structure
Journal Article
Nature chemistry, ISSN 1755-4349, 03/2015, Volume 7, Issue 4, pp. 308 - 316
Chemists and material scientists have often focused on the properties of previously reported compounds, but neglect numerous unreported but chemically... 
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Physics - Materials Science
Journal Article
Computer physics communications, ISSN 0010-4655, 10/2012, Volume 183, Issue 10, pp. 2063 - 2070
Journal Article
Computer physics communications, ISSN 0010-4655, 12/2006, Volume 175, Issue 11-12, pp. 713 - 720
We approach the problem of computational crystal structure prediction, implementing an evolutionary algorithm—USPEX... 
Ab initio | Evolutionary algorithm | Free energy | Crystal structure prediction | Physical Sciences | Computer Science, Interdisciplinary Applications | Technology | Physics, Mathematical | Computer Science | Physics | Science & Technology | Algorithms | Geology | Structure | Crystals
Journal Article
Faraday discussions, ISSN 1364-5498, 2018, Volume 211, pp. 9 - 30
.... Crystal structure prediction based on searching for the global minimum in the lattice energy (CSP_0... 
Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Mathematical models | Interatomic forces | Crystallization | Crystal structure
Journal Article