Zisheng Zhang

Greetings! I am Zisheng Zhang (張 孜晟), a Stanford Energy Postdoctoral Fellow at the SUNCAT Center for Interface Science and Catalysis. I am working on computational modeling and design of dynamic boride electrocatalysts, hosted by Dr. Frank Abild-Pederson at SLAC and Prof. Thomas Jaramillo at Department of Chemical Engineering. I got my M.Sc. (2021) and Ph.D. (2024) in Chemistry (specialization: theory and computation) at the University of California, Los Angeles (UCLA), advised by Prof. Anastaissia N. Alexandrova. Prior to joining UCLA, I received my B.Sc. in Chemistry from the South University of Science and Technology of China in 2019, advised by Prof. Jun Li.

I am passionate about a wide range of topics in theoretical and computational chemistry, including both method development and applications. My current research focuses on multi-scale realistic modeling of dynamic surface and interfaces in heterogeneous thermal catalysis and electrocatalysis under reaction conditions. I am also interested in inverse design of functional molecules/materials, chemical bonding analysis, global optimization algorithms, and data-driven methods. I have been and will continue developing an arsenal of advanced computational methods combining theoretical chemistry (QM and Stat Mech) and AI/ML. Please take a look at the “projects” page to learn more about my research and publications!

I am currently looking for Tenure-Track positions. The research plans of the ZZ Lab are summarized in the comic below:

Trivia: I am a alumnus of the late UCLA-CSST program. I did a research internship at Center for Nanoscale Materials, Argonne National Lab in 2022. I was a rhythmic guitarist on a local band based in Austin, Texas. I love UrbEx and ghost towns. I plan to make xkcd-style TOC graphics for all my first- or corresponding-author papers to come, and proposals if possible.