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FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
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First Principles Crystal Structure Prediction
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Crystal Structure Prediction for Covalent and Molecular Crystals
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First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs
Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
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FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
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PyCASPESA: A new method for crystal structure prediction
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Crystal structure prediction and ammonia dynamics in calcium ammine
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Development of a novel evolutionary algorithm specialized for crystal structure prediction of molecular systems: MCaSP-Evo
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Ab initio crystal structure prediction A case study NaBH4
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Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations An insight into the structure of Mg BH4 2
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Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2
The Journal of Physical Chemistry C, Vol. 125, Ocak 2021, ISSN: 1932-7447","1932-7455
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Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2
The Journal of Physical Chemistry C, Vol. 125, Mayıs 2021, ISSN: 1932-7447","1932-7455
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