About Yuezhi

Yuezhi Mao is an Assistant Professor in Department of Chemistry and Biochemistry, San Diego State University. He is also an associated faculty of the Computational Science Research Center (CSRC) at SDSU. His research centers around the development and application of theoretical and computational methods for elucidating the electronic structure and reactivity of chemical systems and dynamical processes in complex environments.

Yuezhi received his B.Sc. degree in Materials Chemistry from Peking University in 2012. He then joined Prof. Martin Head-Gordon’s group at UC Berkeley and completed his Ph.D. in Chemistry in 2017, where his research mainly focused on the development of DFT-based electronic structure methods for modeling and understanding non-covalent interactions. As a postdoctoral scholar in Prof. Tom Markland’s group at Stanford University (2018-2022), Yuezhi further extended his expertise to modeling dynamical processes and spectroscopies and worked on a wide range of problems including diabatization methods for electron transfer processes, calibrating and interpreting the frequency shifts experienced by vibrational Stark probes, and modeling electronic spectra of chromophores in condensed-phase environments. He joined the faculty of SDSU Chemistry in August, 2022. Yuezhi is also a major developer of the Q-Chem code, and his extensive contributions to the code infrastructure and functionalities were recognized by the Michael Wormit Award in 2020.

Additional information can be found on Yuezhi's faculty page and CV.