主持国家自然科学基金1项（已结题）、广东省自然科学基金3项（已结题3项）、广东省研究生教育创新计划项目1项（在研）、广州医科大学“高水平大学建设项目”引进高层次人才科研启动1项（在研，200万）。申请发明专利2项，担任The Journal of Organic Chemistry, Molecular Catalysis, Molecular Simulation等SCI期刊审稿人及中国博士后基金、广东省自然科学基金、陕西省自然科学基金项目评审人；发表SCI论文60余篇，其中以第一/通讯作者（含共同）在J. Am. Chem. Soc. (IF = 16.383)、Angew. Chem. Int. Ed. (IF = 16.823)等国际重要期刊上发表论文26篇，如率先将药物靶点筛选的新兴技术（DNA编码化合物库，DELs）与C-H键活化策略成功融合，用于含氟化合物的DNA编码标记&探针分子构建；开展了基于靶标结构的活性分子筛选与优化，为后续特异选择性配体的设计提供了新的切入点；发展了直接官能团化新反应模式与新机制发现，完成了 “类药性”的靶向化合物库高效构建。
1) Hui Gao, Shuang Lin, Shuning Zhang, Weijie Chen, Xiawen Liu, Guang Yang, Richard A. Lerner, Hongtao Xu,* Zhi Zhou* and Wei Yi*. "gem-Difluoromethylene Alkyne-Enabled Diverse C−H Functionalization and Application to the on-DNA Synthesis of Difluorinated Isocoumarins." Angew. Chem. Int. Ed., 2021, 60 (4), 1959-1966. DOI:10.1002/anie.202013052. (IF: 16.823)
2) Wei Yi*, Weijie Chen, Fu-Xiaomin Liu, Yuting Zhong, Dan Wu, Zhi Zhou*, Hui Gao*. “Rh(III)-Catalyzed and Solvent-Controlled Chemoselective Synthesis of Chalcone and Benzofuran Frameworks via Synergistic Dual Directing Groups Enabled Regioselective C–H Functionalization: a Combined Experimental and Computational Study.” ACS Catal. 2018, 8, 9508–9519. (IF: 13.700)
3) Guangfan Zheng, Jiaqiong Sun, Youwei Xu, Xukai Zhou, Hui Gao*, Xingwei Li*. Rhodium(III)-catalyzed chelation-assisted C−H imidation of arenes via umpolung of the imidating reagent. Chinese J. Catal., 2020, 41, 1723-1733. (IF: 12.920)
4) Jia-Qiang Wu#, Shang-Shi Zhang#, Hui Gao# (Co-first author), Zisong Qi, Chu-Jun Zhou, WeiWei Ji, Yao Liu, Yunyun Chen, Qingjiang Li, Xingwei Li*, and Honggen Wang* “Experimental and Theoretical Studies on RhodiumCatalyzed Coupling of Benzamides with 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Fluorinated Heterocycles.” J. Am. Chem. Soc., 2017,139, 3537-3545. (IF: 16.383)
5) Hui Gao, Zhuofeng Ke, Nathan J. DeYonker, Juping Wang, Huiying Xu, Zong-Wan Mao, David Lee Phillips*, Cunyuan Zhao*. “Dinuclear Zn(II) Complex Catalyzed Phosphodiester Cleavage Proceeds Via a Concerted Mechanism: A Density Functional Theory Study.” J. Am. Chem. Soc., 2011, 133, 2904-2915. (IF: 16.383)
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