作者: Yanchao Wang , Maosheng Miao , Jian Lv , Li Zhu , Ketao Yin
DOI: 10.1063/1.4769731
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摘要: … In order to capture all these structural features of 2D and quasi-2D materials, we developed a new 2D structure search module in CALYPSO code that is based on 2D PSO algorithm, …