Academic Qualification

PHD, chemistry, California Institute of Technology, 2004
M.S., Chemistry, Peking University, China, 2000
B.S., Chemistry, Peking University (with honor), China, 1997

Teaching Area

Materials Simulations and Design

AI for materials Design

Research Area

Develop materials simulation methods and deep learning methods

Intelligent design of materials

Professional Services

Member of computational chemistry committee of Chinese Chemical Society

Editorial Board Member of "Scientific Reports"
Editorial Board Member of "Frontiers in Materials"

Working Experience

2009 ~ Present, Professor, Institute of Functional Nano and Soft materials, Soochow University, China
2006 ~ 2009, Director of functional material and biotech, Materials Simulation Center, California Institute of Technology
2004 ~ 2005, Postdoctoral Scholar, California Institute of Technology,

Academic Publication (selected from over 500 papers)

1.      Lina Liu, Yujin Ji, Marco Bianchi, Saban M. Hus, Zheshen Li, Richard Balog, Jill A. Miwa, Philip Hofmann, An-Ping Li, Dmitry Y. Zemlyanov*, Youyong Li*, Yong P. Chen*, "A metastable pentagonal 2D material synthesized by symmetry-driven epitaxy", Nature Materials, 2024, DOI:10.1038/s41563-024-01987-w.

2.      Jie Feng, Zhihao Dong, Yujin Ji*, Youyong Li*, "Accelerating the discovery of Metastable IrO2 for the oxygen evolution reaction by self-learning-input Graph Neural Network", JACS Au, 2023, DOI: 10.1021/jacsau.2c00709.

3.      Lu Wang*, Hai Xiao, Tao Cheng, Youyong Li*, William A. Goddard III*, " Pb-activated Amine-assisted Photocatalytic Hydrogen Evolution Re-action on Organic-Inorganic Perovskites ", J. Am. Chem. Soc., 2018, 140, 1994-1997.

4.      Robin Ohmann, Luis K. Ono, Hui-Seon Kim, Haiping Lin, Michael V. Lee, Youyong Li*, Nam-Gyu Park*, Yabing Qi*, "Real-space imaging of the atomic structure of organic-inorganic perovskite", J. Am. Chem. Soc., 2015, 137, 16049-16054.

5.      Xing Fan, Siyu Tan, Junjun Yang, Yunxia Liu, Wenyi Bian, Fan Liao*, Haiping Lin*, Youyong Li*, "From Theory to Experiment: Cascading of Thermocatalysis and Electrolysis in Oxygen Evolution Reactions", ACS Ener. Lett., 2022, 7, 343.

6.      Junqing Yan*, Yujin Ji, Munkhbayar Batmunkh, Pengfei An, Jing Zhang, Yang Fu, Baohua Jia, Youyong Li*, Shengzhong Liu*, Jinhua Ye, Tianyi Ma*, "Breaking platinum nanoparticles to single-atomic Pt-C4 co-catalysts for enhanced solar-to-hydrogen conversion", Angew. Chem. Int. Ed. 2021, 60, 2541.6