一、个人简历
马思聪课题组长期致力于理解与计算催化研究，尤其在人工智能服务催化剂研发方面取得了有国际影响力的创新性成果，包括：率先将神经网络势函数（NNP）引入催化领域，建立了覆盖“体相–表面–反应”的完整模拟范式；建立了包含6万种金属-膦配体组合的配体设计平台(www.lasphub.com/database/#/MPCD)；创立了分子筛数据库ZeoPro（www.laspai.com/#/database/zeopro）。迄今以第一或通讯作者身份在包括Nature Catalysis、Nature Communication、JACS等国际学术期刊发表论文20余篇。
二、教育工作经历
2009.9-2013.7 中国石油大学（北京）应用化学专业 本科
2013.9-2016.7 中国石油大学（北京）化学专业 硕士
2016.9-2019.7 复旦大学物理化学专业 博士
2019.8-2021.8 复旦大学 博士后
2021.8-2024.8 中国科学院上海有机化学研究所 助理研究员
2024.4-2026.1 中国科学院上海有机化学研究所 副研究员
2026.1-至今 yl9193永利集团 长聘副教授
三、研究方向
理论与计算化学、机器学习与均多相催化、实验自动化
四、荣誉奖励，国内外学术组织或机构学术兼职
1. 国家自然科学基金委优秀青年基金
2. 中国科学院青年创新促进会会员
3. 2020年度复旦大学优秀博士学位论文
五、主要科研项目
1. 国家自然科学基金委优秀青年基金，项目负责人
2. 中国科学院青年创新促进会，项目负责人
3. 国家自然科学基金委青年基金，项目负责人
4. 上海市科委面上项目，项目负责人
5. 上海市人社局超级博士后，项目负责人
6. 中国博士后面上项目，项目负责人
六、代表性论文
以第一和通讯作者身份发表论文
1. Cong Fang; Zhuang Wang; Ruixian Guo; Yuxiao Ding; Sicong Ma*; Xiaoyan Sun*; Machine Learning Potential for Copper Hydride Clusters: A Neutron Diffraction-Independent Approach for Locating Hydrogen Positions. J. Am. Chem. Soc. 2025, 147, 10750
2. Zhao, Qian-Cheng; Chen, Lin; Ma, Sicong*; Liu, Zhi-Pan*; Data-driven discovery of Pt single atom embedded germanosilicate MFI zeolite catalysts for propane dehydrogenation. Nat. Commun. 2025, 16, 3720.
3. Zhuo-Yan Yao; Sicong Ma*; Zhi-Pan Liu; Unraveling the mechanisms of ketene generation and transformation in syngas-to-olefin conversion over ZnCrO x| SAPO-34 catalysts. Chem. Sci. 2025,16, 8711.
4. Ma, Sicong*; Cao, Yanwei†; Shi, Yun-Fei; Shang, Cheng; He, Lin*; Liu, Zhi-Pan*; Data-driven discovery of active phosphine ligand space for cross-coupling reaction, Chem. Sci. 2024, 15, 13359-13368.
5. Yao, Zhuo-Yan; Ma, Sicong*; Liu, Zhi-Pan*; Active Sites and Reaction Mechanisms of COx hydrogenation on Zinc-based Mixed Oxide Catalysts, Sci. China Chem. 2025, 68, 2290.
6. Yang, Chengsheng; Ma, Sicong*; Liu, Yongmei; Wang, Lihua; Yuan, Desheng; Shao, Wei-Peng; Zhang, Lunjia; Yang, Fan; Lin, Tiejun; Ding, Hongxin; He, Heyong; Liu, Zhi-Pan; Cao, Yong; Zhu, Yifeng*; Bao, Xinhe*; Homolytic H2 dissociation for enhanced hydrogenation catalysis on oxides, Nat. Commun. 2024, 15, 540.
7. Shi, Yun-Fei; Ma, Sicong*; Liu, Zhi-Pan*; Copper-based Catalysts for CO2 Hydrogenation: A Perspective on the Active Site, EES Catal. 2023, 1, 921-933.
8. Ma, Sicong; Shang, Cheng; Liu, Zhi-Pan*; Destruction and preservation of nonstoichiometric ZnCr oxide catalyst from machine-learning simulation, J. Catal. 2023, 426, 294-300.
9. Xing, Yanan; Kang, Leilei; Ma, Jingyuan; Jiang, Qike; Su, Yang; Zhang, Shengxin; Xu, Xiaoyan; Li, Lin; Wang, Aiqin; Liu, Zhi-Pan; Ma, Sicong*; Liu, Xiaoyan*; Zhang, Tao; Sn1Pt single-atom alloy evolved stable PtSn/nano-Al2O3 catalyst for propane dehydrogenation, Chinese J. Catal. 2023, 48, 164-174.
10. Ma, Sicong; Liu, Zhi-Pan*; Zeolite-confined subnanometric PtSn mimicking mortise-and-tenon joinery for catalytic propane dehydrogenation, Nat. Commun. 2022, 13, 2716.
11. Ma, Sicong; Liu, Zhi-Pan*; Machine learning potential era of zeolite simulation, Chem. Sci. 2022, 13, 5055-5068.
12. Ma, Sicong; Liu, Zhi-Pan*; The role of zeolite framework in zeolite stability and catalysis from recent atomic simulation, Top. Catal. 2022, 65, 59-68.
13. Ma, Sicong; Liu, Zhi-Pan*; Machine learning for atomic simulation and activity prediction in heterogeneous catalysis: current status and future, ACS Catal. 2020, 10, 13213-13226.
14. Ma, Sicong; Shang, Cheng; Wang, Chuan-Ming*; Liu, Zhi-Pan*; Thermodynamic rules for zeolite formation from machine learning based global optimization, Chem. Sci. 2020, 11, 10113-10118.
15. Ma, Sicong; Shang, Cheng; Liu, Zhi-Pan*; Heterogeneous catalysis from structure to activity via SSW-NN method, J. Chem. Phys. 2019, 151, 50901.
16. Ma, Sicong; Huang, Si-Da; Liu, Zhi-Pan*; Dynamic coordination of cations and catalytic selectivity on zinc–chromium oxide alloys during syngas conversion, Nat. Catal. 2019, 2, 671-677.
17. Ma, Sicong; Huang, Si-Da; Fang, Ya-Hui; Liu, Zhi-Pan*; TiH hydride formed on amorphous black titania: Unprecedented active species for photocatalytic hydrogen evolution, ACS Catal. 2018, 8, 9711-9721.
18. Ma, Sicong; Huang, Si-Da; Fang, Ya-Hui; Liu, Zhi-Pan*; Microporous titania crystals with penta-oxygen coordination, ACS Appl. Energy Mater. 2017, 1, 22-26.
19. Ma, Sicong; Song, Weiyu; Liu, Bing; Zhong, Wenjia; Deng, Jianlin; Zheng, Huiling; Liu, Jian; Gong, Xue-Qing; Zhao, Zhen*; Facet-dependent photocatalytic performance of TiO2: A DFT study, Appl. Catal. B-Environ. 2016, 198, 1-8.
20. Ma, Sicong; Song, Weiyu; Liu, Bing; Zheng, Huiling; Deng, Jianlin; Zhong, Wenjia; Liu, Jian; Gong, Xue-Qing; Zhao, Zhen*; Elucidation of the high CO2 reduction selectivity of isolated Rh supported on TiO2: a DFT study, Catal. Sci. Technol. 2016, 6, 6128-6136.
七、专著发表
1. Sicong Ma, Pei-Lin Kang, Cheng Shang and Zhi-Pan Liu; Machine Learning for Heterogeneous Catalysis: Global Neural Network Potential from Construction to Applications. in the book of “Machine Learning in Chemistry: The Impact of Artificial Intelligence”. (第十九章)
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