Prof. Xinping Wu from East China University of Science and Technology was invited to deliver an academic lecture.

Promulgator:曹鼎Date:2025-01-07Hits:12

On the afternoon of December 11, 2024, at the invitation of Prof. Yufei Zhao from the State Key Laboratory of Chemical Resource Engineering, Prof. Xinping Wu of East China University of Science and Technology delivered an insightful lecture titled "Theoretical Design of Porous Photocatalytic Materials" in Room 307B of the Gaojingjian Building for faculty and students. The session was chaired by Prof. Yufei Zhao with attendance from numerous faculty members and students.

In this report, Professor Xinping Wu provided a detailed introduction to the research work on the regulation of the electronic structure and carrier separation performance of MOF and COF photocatalytic materials, as well as the latest research progress in QM/MM theoretical calculation methodologies. The results predicted by his theoretical calculations have been successively verified by independent experimental work from other research groups. The newly developed methods not only maintain high precision but also significantly reduce calculation time, strongly demonstrating the importance of accurate and efficient theoretical calculation research for deepening the understanding of the structure-activity relationships of catalysts and the mechanisms of catalytic reactions.

Professor Xinping Wu's report sparked academic exchanges and collisions of ideas among faculty and students. Everyone actively asked questions and made speeches, conducting in-depth discussions on topics related to the research field.

Xinping Wu is a Professor and PhD Supervisor at East China University of Science and Technology and a Council Member of the Shanghai Rare Earth Society. He was selected into the Shanghai Overseas High-Level Talent Program in 2020 and the National Overseas High-Level Young Talent Program in 2021. His research focuses on theoretical and computational chemistry and theoretical catalysis, including the development of computational methods and programs for large and complex systems, theoretical research on surface catalysis, and simulation of porous materials such as Metal-Organic Frameworks (MOF), Covalent Organic Frameworks (COF), metals, and metal oxides. He has authored 2 book chapters and published over 60 research papers in journals including Nature Catalysis, Physical Review Letters, Journal of the American Chemical Society, Angewandte Chemie International Edition, Nature Communications, and Journal of Chemical Theory and Computation. He is also a principal developer of the multiscale theoretical simulation program QM/MM and has independently developed an intelligent molecular force field fitting program.