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Computer simulation of stable structures in crystal substances |
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| Authors: | K. K. Abgaryan V. R. Khachaturov |
| Affiliation: | (1) Dorodnicyn Computing Center, Russian Academy of Sciences, ul. Vavilova 40, Moscow, 119333, Russia |
| Abstract: | Mathematical methods and algorithms used to design an automated system for predicting the properties of substances with a given crystal-chemical formula are described. |
| Keywords: | computer simulation optimization methods crystal structures stability mathematical models computational algorithms |
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