(1) 2003-12至2007-4，瑞典皇家工学院，理论化学，博士，导师：罗毅
(2) 2000-9至2008-5，中国科学院上海技术物理研究所，微电子及固体电子学，博士，导师：陆卫
(3) 1996-9至2000-7，武汉大学，物理学，学士

从事理论与智能化学研究，发展融合人工智能与大数据技术的量子化学方法

(1) 2011-12至现在，中国科学技术大学，化学与材料科学学院，合肥微尺度物质科学国家研究中心，教授
(2) 2009-2至2011-12，美国加州大学尔湾分校化学系，博士后，导师：Shaul Mukamel
(3) 2008-5至2009-2，瑞典皇家工学院理论化学系，博士后，导师：罗毅

中国化学会唐敖庆理论化学青年奖（2015）
科学中国人年度人物奖（2015）
安徽青年科技奖（2017）
日本化学会亚洲杰出青年研究员奖（2020）
机器化学家机器化学家团队 （2022）

1. 国家自然科学基金委员会，杰出青年基金项目，22025304，复杂体系的电荷运动调控研究，2021.1-2025.12，400万元，在研，主持
2. 国家自然科学基金委员会，重点项目，22033007，分子光谱的人工智能预测与结构反演研究，2021.1-2025.12，290万元，在研，主持
3. 中科院-稳定支持基础研究领域青年团队计划， 数据驱动的化学、材料和生物科学的机器科学家 2021.6-2026.6，2000万，在研，主持
4. 中科院-抢占科技制高点专项，智能科学家系统平台，2024.1-2030.12，13390万，在研，主持
4. 国家科技部，973青年科学家专题项目，2014CB848900，光催化体系表界面电子态的耦合与演化规律研究，2014.1-2018.12，500万元，结题，主持

(1) W. Li, Cong Liu, C.K. Gu, J.-H. Choi, S. Wang*, J. Jiang*, Interlayer Charge Transfer Regulates Single-Atom Catalytic Activity on Electride/Graphene 2D Heterojunctions, J. Am. Chem. Soc. 145 (2023) 4774-4783.
(2) Q. Zhu, Y. Huang, D.L. Zhou, L.Y. Zhao, L.L. Guo, R.Y. Yang, Z.X. Sun, M. Luo, F. Zhang, H.Y. Xiao, X.S. Tang, X.C. Zhang, T. Song, X. Li, B.C. Chong, J.Y. Zhou, Y.H. Zhang, B.C. Zhang, J.Q. Cao, G.Z. Zhang, S. Wang, G.L. Ye, W.J. Zhang, H.T. Zhao, S. Cong, H.R. Li, L.L. Ling, Z. Zhang, W.W. Shang*, J. Jiang*, Y. Luo*, Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist, Nature Synthesis (2023) DOI : 10.1038/s44160-023-00424-1.
(3) Q. Zhu, F. Zhang, Y. Huang, H.Y. Xiao, L.Y. Zhao, X.C. Zhang, T. Song, X.S. Tang, X. Li, G. He, B.C. Chong, J.Y. Zhou, Y.H. Zhang, B.C. Zhang, J.Q. Cao, M. Luo, S. Wang, G.L. Ye, W.J. Zhang, X. Chen, S. Cong, D.L. Zhou, H.R. Li, J.L. Li, G. Zou, W.W. Shang*, J. Jiang*, Y. Luo*, An all-round AI-Chemist with scientific mind, Natl. Sci. Rev. 9 (2022) nwac190.
(4) X.J. Wang, S. Jiang, W. Hu, S. Ye, T.R. Wang, F. Wu, L. Yang, X.Y. Li, G.Z. Zhang, X. Chen*, J. Jiang*, Y. Luo*, Quantitatively Determining Surface–Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning, J. Am. Chem. Soc. 144 (2022) 16069-16076.
(5) B.C. Zhang, X.L. Zhang, W.J. Du, G.Z. Zhang, G.Q. Zhang, Y. Wang, X. Chen*, J. Jiang*, Y. Luo*, Chemistry Informed Molecular Graph as Reaction Descriptors for Machine Learned Retro-Synthesis Planning, Proc Natl Acad Sci USA. 119 (2022) e2212711119.
(6) Ye, Sheng#; Zhong, Kai#; Zhang, Jinxiao#; Hu, Wei; Hirst, Jonathan; Zhang, Guozhen; Mukamel, Shaul; Jiang, Jun*; A Machine Learning Protocol for Predicting Protein Infrared Spectra, J. Am. Chem. Soc. 2020, 142: 19071-19077.
(7) Tang, Shaobin; Dang, Qian; Liu, Tianyong; Zhang, Shiyong; Zhou, Zhonggao; Li, Xiaokang; Wang, Xijun; Sharman, Edward; Luo, Yi; Jiang, Jun*; Realizing A Not-Strong-Not-Weak Polarization-Electric Field in Single Atom Catalysts Sandwiched by Boron-Nitride and Graphene Sheets for Efficient Nitrogen Fixation, J. Am. Chem. Soc. 2020, 142: 19308-19315.
(8) Wang, Xijun#; Ye, Sheng#; Hu, Wei#; Sharman, Edward; Liu, Ran; Liu, Yan; Luo, Yi; Jiang, Jun*; Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface-Molecular Adsorbate Interactions, J. Am. Chem. Soc. 2020, 142: 7737-7743.
(9) Xie, Liyan#; Zhu, Qing#; Zhang, Guozhen#; Ye, Ke; Zou, Chongwen; Prezhdo, Oleg; Wang, Zhaowu; Luo, Yi; Jiang, Jun*; Tunable Hydrogen Doping of Metal Oxide Semiconductors with Acid-Metal Treatment at Ambient Condition, J. Am. Chem. Soc. 2020, 142: 4136-4140.
(10) Ye, Sheng#; Hu, Wei#; Li, Xin#; Zhang, Jinxiao; Zhong, Kai; Zhang, Guozhen; Luo, Yi; Mukamel, Shaul*; Jiang, Jun*; A Neural Network Protocol for Electronic excitations of N-Methylacetamide, Proc Natl Acad Sci USA. 2019, 116: 11612-11617.

二、近5年内发表的其余论著
(1) Liu, Daobin#; Li, Xiyu#; Chen, Shuangming; Yan, Huan; Wang, Changda; Wu, Chuanqiang; Haleem, Yasir A; Duan, Sai; Lu, Junling; Ge, Binghui; Ajayan, Pulickel M; Luo, Yi; Jiang, Jun*; Song, Li*; Atomically dispersed platinum supported on curved carbon supports for efficient electrocatalytic hydrogen evolution, Nat. Energy 2019, 4: 512-518.
(2) Hu, Wei#; Ye, Sheng#; Zhang, Yujin#; Li, Tianduo; Zhang, Guozhen; Luo, Yi; Mukamel, Shaul; Jiang, Jun*; Machine Learning Protocol for Surface-Enhanced Raman Spectroscopy, J. Phys. Chem. Lett. 2019, 10: 6026-6031.
(3) Jia, Chuanyi#; Wang, Xijun#; Zhong, Wenhui; Wang, Zhunzhun; Prezhdo, Oleg V; Luo, Yi; Jiang, Jun*; Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au−Cu Bimetallic Clusters on TiO2(101), ACS Appl Mater Interfaces. 2019, 11: 9629-9640.
(4) Li, Qinkun; Li, Xiaofei; Zhang, Guozhen*; Jiang, Jun*; Cooperative spin transition of monodispersed FeN3 sites within graphene induced by CO adsorption, J. Am. Chem. Soc. 2018, 140: 15149-15152.
(5) Yang, Li#; Li, Xiyu#; Zhang, Guozhen#; Cui, Peng; Wang, Xijun; Jiang, Xiang; Zhao, Jun; Luo, Yi; Jiang, Jun*; Combining Photocatalytic Hydrogen Generation and Capsule Storage in Graphene Based Sandwich Structures, Nat. Commun. 2017, 8: 16049.