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CALYPSO: A method for crystal structure prediction

Computer Physics Communications · 2012 · Vol. 183(10) · pp. 2063–2070

Yanchao Wang✉(Jilin University)Jian Lv(Jilin University)Li Zhu(Jilin University)Yanming Ma(Jilin University)

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Machine Learning in Materials Science Crystallography and molecular interactions Energetic Materials and CombustionCrystal structure predictionParticle swarm optimizationMetastabilityCode (set theory)MinificationCrystal structureAlgorithmComputer scienceGlobal optimizationCrystal (programming language)

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References

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

The Journal of Physical Chemistry A · 1997 · 2,940 citations

Optimization by Simulated Annealing

Science · 1983 · 44,165 citations

Crystal structure prediction via particle-swarm optimization

Physical Review B · 2010 · 2,664 citations

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Physical review. B, Condensed matter · 1996 · 117,292 citations

Bond-orientational order in liquids and glasses

Physical review. B, Condensed matter · 1983 · 3,397 citations

USPEX—Evolutionary crystal structure prediction

Computer Physics Communications · 2006 · 1,243 citations

<i>Ab initio</i>random structure searching

Journal of Physics Condensed Matter · 2011 · 1,200 citations

The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

Journal of Physics Condensed Matter · 2002 · 11,717 citations

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