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Accelerating Density Functional Calculation of Adatom Adsorption on Graphene Via Machine Learning

Nan Qu,Mo Chen,Mingqing Liao,Yuan Cheng,Zhonghong Lai,Fei Zhou,Jingchuan Zhu,Yong Liu,Lin Zhang

MATERIALS（2023）

Cited 4|Views41
Key words
graphene,adsorption,machine learning,DFT calculation
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