Peng Gao

N-doped MXene derived from chitosan for the highly effective electrochemical properties as supercapacitor

Liuyue Pu, Jiaoxia Zhang, Nguetsa Kuate Loic Jiresse et al. · Advanced Composites and Hybrid Materials · 2021 · 189 citations

Natural Sciences, Materials Engineering, Materials Science +14

An effective self-supervised framework for learning expressive molecular global representations to drug discovery

Pengyong Li, Jun Wang, Yixuan Qiao et al. · Briefings in Bioinformatics · 2021 · 150 citations

Computing, Medicinal Chemistry, Computational Chemistry +16

Type-II CdS/PtSSe heterostructures used as highly efficient water-splitting photocatalysts

Guangzhao Wang, Wenyi Tang, Wenjie Xie et al. · Applied Surface Science · 2022 · 115 citations

Natural Sciences, Materials Engineering, Materials Science +14

Insights into the pollutant electron property inducing the transformation of peroxymonosulfate activation mechanisms on manganese dioxide

Renfeng Huang, Peng Gao, Jinyuan Zhu et al. · Applied Catalysis B: Environmental · 2022 · 99 citations · Full text

Natural Sciences, Chemistry, Environmental Sciences +13

General Protocol for the Accurate Prediction of Molecular ¹³ C/ ¹ H NMR Chemical Shifts via Machine Learning Augmented DFT

Peng Gao, Jun Zhang, Jun Zhang et al. · Journal of Chemical Information and Modeling · 2020 · 89 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14