Ph.D. (Tsinghua University)  

B.S. (Tsinghua University)

Dr. Weitang Li obtained his Ph. D. degree in Chemistry at Tsinghua University in 2022 under the supervision of Prof. Zhigang Shuai. After graduation, he worked in Tencent Quantum Lab as a senior researcher. He joined The Chinese University of Hong Kong, Shenzhen as an Assistant Professor in Sept. 2024. Dr. Li's research interest lies at the interface of cutting-edge computational methods and chemistry/material science. He develops quantum algorithms and packages that empower quantum computers to tackle complex chemistry problems. He is also interested in tensor network algorithms for probing the quantum dynamics processes in bio-molecules and novel organic materials. He has published more than 20 papers in journals including Nature Communications, Chemical Science, Journal of Physical Chemistry Letters and Journal of Chemical Theory and Computation. His thesis work was recognized with the Excellent Doctoral Thesis Award in Theoretical Chemistry (2023). In 2023, Dr. Li's was included in the Young Elite Scientists Sponsorship Program.

1. Weitang Li, Jiajun Ren, and Zhigang Shuai*, A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-phonon Couplings, Nat. Commun., 2021, 12, 4260.
2. Weitang Li, Zigeng Huang, Changsu Cao, Yifei Huang, Zhigang Shuai, Xiaoming Sun, Jinzhao Sun, Xiao Yuan, and Dingshun Lv*, Toward Practical Quantum Embedding Simulation of Realistic Chemical Systems on Near-Term Quantum Computers, Chem. Sci. 2022, 31, 8953-8962.[Back Cover Article]
3. Weitang Li, Jiajun Ren, Sainan Huai, Tianqi Cai, Zhigang Shuai*, and Shengyu Zhang*, Efficient Quantum Simulation of Electron-Phonon Systems by Variational Basis State Encoder, Phys. Rev. Res. 2023, 2, 023046.
4. Weitang Li, Jiajun Ren, and Zhigang Shuai*, Finite-Temperature TD-DMRG for the Carrier Mobility of Organic Semiconductors, J. Phys. Chem. Lett. 2020, 11, 4930−4936. [Cover Article]
5. Weitang Li, Jiajun Ren*, and Zhigang Shuai, Numerical Assessment for Accuracy and GPU Acceleration of TD-DMRG Time Evolution Schemes. J. Chem. Phys. 2020, 152, 024127. [JCP Editors’ Choice 2019]