吴新平，教授，博士生导师
办公室：徐汇校区实验十四楼309室
Email: xpwu@ecust.edu.cn
招生专业：
学术学位（硕士、博士）：工业催化
专业学位（硕士）：材料与化工
专业学位（博士）：轻工技术与工程、生物与医药
教育及工作经历：
2007.9-2011.7， 华东理工大学，应用化学（材料），本科
2011.9-2016.6， 华东理工大学，工业催化，博士
2016.7-2019.10， 美国明尼苏达大学，博士后
2019.11-2023.12， 华东理工大学，化学与分子工程学院，特聘研究员
2024.1-今， 华东理工大学，化学与分子工程学院，教授
主要研究方向及成果：
主要从事理论与计算化学、催化研究，重点关注大体系及复杂体系计算方法开发、表面科学及表面催化研究、多孔材料模拟、激发态计算等。方法开发方面主要涉及量子力学和分子力学组合（QM/MM）方法、嵌入簇方法、分子力场等。研究的材料主要包括金属有机框架（MOF）、共价有机框架（COF）、金属以及金属氧化物等。至今发表了专著2部（章）以及期刊论文57篇，其中以第一或通讯作者发表期刊论文45篇，包括1篇Nat. Catal.、2篇Phys. Rev. Lett.、6篇J. Am. Chem. Soc. 、2篇J. Chem. Theory Comput.、2篇Nat. Commun.、5篇ACS Catal.等。同时，作为主要开发者参与开发了多尺度理论模拟程序QMMM，自主开发了一套分子力场智能拟合程序。
所获荣誉：
1. 国家海外高层次青年人才（2021）
2. 上海市海外高层次人才 （2020）
3. 华东理工大学化学与分子工程学院“化学之星”（2020）
主要学术兼职：
1. 上海市稀土学会第七届理事会理事
2. 学术期刊《Chinese Journal of Structural Chemistry》青年编委
代表性成果：
专著
1. “Photocatalysis”, Xin-Ping Wu, Ming-Yu Yang, Zi-Jian Zhou, Zhao-Xue Luan, Lin Zhao, and Yi-Chun Chu, in Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches, edited by Cristina García-Iriepa and Marco Marazzi (Elsevier, Amsterdam, 2023), Chapter 16.
2. “Photo-Induced Charge Separation and Photoredox Catalysis in Cerium-Based Metal−Organic Frameworks”,
Xin-Ping Wu and Donald G. Truhlar*, in Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces, edited by D. Kilin, S. Kilina, and Y. Han (American Chemical Society Symposium Series, Washington, DC, 2019), Chapter 14.
论文（*：通讯；#：共同一作）
1. Level-Shifted Embedded Cluster Method for Modeling the Chemistry of Metal Oxides
Ming-Yu Yang and Xin-Ping Wu*
J. Chem. Theory Comput. 20, 1386−1397 (2024)
2. Electrolyte-Assisted Polarization Leading to Enhanced Charge Separation and Solar-to-Hydrogen Conversion Efficiency of Seawater Splitting
Yiyang Li, Hui Zhou, Songhua Cai, Dharmalingam Prabhakaran, Wentian Niu, Alexander Large, Georg Held, Robert A. Taylor, Xin-Ping Wu*, and Shik Chi Edman Tsang*
Nat. Catal. 7, 77−88 (2024)
3. Photo-Induced Active Lewis Acid−Base Pairs in a Metal−Organic Framework for H2 Activation
Bryan Kit Yue Ng, Zi-Jian Zhou, Ting-Ting Liu, Tatchamapan Yoskamtorn, Guangchao Li, Tai-Sing Wu, Yun-Liang Soo, Xin-Ping Wu*, and Shik Chi Edman Tsang*
J. Am. Chem. Soc. 145, 19312−19320 (2023)
4. Responses of Defect-Rich Zr-Based Metal−Organic Frameworks toward NH3 Adsorption
Tatchamapan Yoskamtorn#, Pu Zhao#, Xin-Ping Wu*, Kirsty Purchase, Fabio Orlandi, Pascal Manuel, James Taylor, Yiyang Li, Sarah Day, Lin Ye, Chiu C. Tang, Yufei Zhao, and S. C. Edman Tsang*
J. Am. Chem. Soc. 143, 3205−3218 (2021)
5. Interactions of Oxide Surfaces with Water Revealed with Solid-State NMR Spectroscopy
Junchao Chen#, Michael A. Hope#, Zhiye Lin, Meng Wang, Tao Liu, David M. Halat, Yujie Wen, Teng Chen, Xiaokang Ke, Pieter C. M. M. Magusin, Weiping Ding, Xifeng Xia, Xin-Ping Wu*, Xue-Qing Gong, Clare P. Grey*, and Luming Peng*
J. Am. Chem. Soc. 142, 11173−11182 (2020)
6. Polar Surface Structure of Oxide Nanocrystals Revealed with Solid-State NMR Spectroscopy
Junchao Chen#, Xin-Ping Wu#,*, Michael A. Hope#, Kun Qian, David M. Halat, Tao Liu, Yuhong Li, Li Shen, Xiaokang Ke, Yujie Wen, Jia-Huan Du, Pieter C. M. M. Magusin, Subhradip Paul, Weiping Ding, Xue-Qing Gong, Clare P. Grey*, and Luming Peng*
Nat. Commun. 10, 5420 (2019)
7. Multilink F* Method for Combined Quantum Mechanical and Molecular Mechanical Calculations of Complex Systems
Xin-Ping Wu*, Laura Gagliardi, and Donald G. Truhlar*
J. Chem. Theory Comput. 15, 4208−4217 (2019)
8. Cerium Metal−Organic Framework for Photocatalysis
Xin-Ping Wu*, Laura Gagliardi*, and Donald G. Truhlar*
J. Am. Chem. Soc. 140, 7904−7912 (2018)
9. Clustering of Oxygen Vacancies at CeO2(111): Critical Role of Hydroxyls
Xin-Ping Wu and Xue-Qing Gong*
Phys. Rev. Lett. 116, 086102 (2016)
10. Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions
Xin-Ping Wu and Xue-Qing Gong*
J. Am. Chem. Soc. 137, 13228−13231 (2015)