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Crystal structure search is a long-standing challenge in materials design.
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“The introduction of structure types into the Inorganic Crystal Structure Database ICSD” Number: 5 Publisher: International Union of Crystallography
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“Crystal structure prediction from first principles” Number: 12 Publisher: Nature Publishing Group
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“Appendix: First Blind Test of Inorganic Crystal Structure Prediction Methods”
Artem. Oganov et al · 2010
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“Crystal structure prediction using the minima hopping method” Publisher: American Institute of Physics
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“Ab initio Random Structure Searching”
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Ling Kong · 2011
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“Nanostructured silicon for high capacity lithium battery anodes” Publisher: Royal Society of Chemistry
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“New developments in evolutionary structure prediction algorithm USPEX”
Andriy. Lyakhov, Artem. Oganov, Harold. Stokes and Qiang Zhu · 2012
“Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies”
Szymon Winczewski, Mohamad Shaheen and Jarosław Rybicki · 2017
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“Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties”
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“Data-driven learning and prediction of inorganic crystal structures” Publisher: The Royal Society of Chemistry
Volker. Deringer, Davide. Proserpio, Gábor Csányi and Chris. Pickard · 2018
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“Structural characterization of the lithium silicides Li15Si4, Li13Si4, and Li7Si3 using solid state NMR” Publisher: The Royal Society of Chemistry
Sven Dupke et al · 2012
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“A second nearest-neighbor embedded atom method interatomic potential for Li–Si alloys”
Zhiwei Cui, Feng Gao, Zhihua Cui and Jianmin Qu · 2012
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Shyue Ong et al · 2012
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Zhiwei Cui, Feng Gao, Zhihua Cui and Jianmin Qu · 2012
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William. Tipton and Richard. Hennig · 2013
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“The Materials Project: A materials genome approach to accelerating materials innovation”
A. Jain et al · 2013
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Nongnuch Artrith, Alexander Urban and Gerbrand Ceder · 2018
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“Structure prediction drives materials discovery” Number: 5 Publisher: Nature Publishing Group
Artem. Oganov, Chris. Pickard, Qiang Zhu and Richard. Needs · 2019
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Chi Chen et al · 2019
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“Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features” Number: 5 Publisher: International Union of Crystallography
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