Crystal structure prediction
Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its composition, has been a goal of the physical sciences since the 1950s. Computational methods employed include simulated annealing, evolutionary algorithms, distributed multipole analysis, random sampling, basin-hopping, data mining, density functional theory and molecular mechanics.
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Crystal structure prediction
Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its composition, has been a goal of the physical sciences since the 1950s. Computational methods employed include simulated annealing, evolutionary algorithms, distributed multipole analysis, random sampling, basin-hopping, data mining, density functional theory and molecular mechanics.
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Crystal structure prediction ( ...... heory and molecular mechanics.
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Передбачення кристалічної стру ...... молекулярна механіка та інші .
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Предсказание кристаллической с ...... ости и молекулярная динамика .
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Crystal structure prediction ( ...... heory and molecular mechanics.
@en
Передбачення кристалічної стру ...... молекулярна механіка та інші .
@uk
Предсказание кристаллической с ...... ости и молекулярная динамика .
@ru
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Crystal structure prediction
@en
Передбачення кристалічної структури
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Предсказание кристаллической структуры
@ru