Dr. Bin Ouyang

Greetings! Welcome to the website of cOmpUtational chemistrY and datA driveN desiGn group (OUYANG group). I am a theoretical researcher working in the field of computational materials chemistry. I have a bachelor in Materials Physics, and Master/PhD degree in Materials Science.

I am an assistant professor at the Department of Chemistry and Biochemistry of Florida State University. My current research is focusing on developing high throughput computation, data mining and machine learning tools to understand structural-property relationship and predictive synthesis of disordered energy materials.

Detailed information about my current research interests are presented in this site. My faculty profile at FSU can also be found in this link. If you have any questions or inquiries, please feel free to send an email to me.

You can also check our Youtube channel, Twitter or Bilibili channel for constant updates of research in the group.

PhD, 2014-2017, McGill University

Postdoc, 2017-2017, UIUC

Postdoc, 2018-2022, UC Berkeley

Assistant Professor, 2022-, Florida State University


Jun, 2024 Congratulations to our second-year PhD student, Lin Wang, on being awarded the prestigious Dean’s Award for Doctoral Excellence! This three-year fellowship is granted to exceptional PhD students in chemistry and biochemistry.
Feb, 2024 Our paper that designs most abundant structure in battery - Rocksalt oxide into superionic conductor is online at Nature Materials
Feb, 2024 Our comment about High entropy batteries come online on Nature Communications.
Jan, 2024 Our paper about single atom catalysts comes online on Chemistry of Materials. The data is open sourced at Github Repo.
Dec, 2023 Our Joule paper has been selected by IOM3 and CBMM as recipient of 2023 Charles Hatchett Award.
Nov, 2023 We are super excited to be part of this beautiful perspective of Far-from-Equilibrium materials!
Nov, 2023 We have developed tools to reconstruct SRO decorated disordered rocksalt that matches experimental electron diffraction. Check our recent publication in Nature Communications.
Nov, 2023 Congratulations to our PhD student Lin Wang’s paper on high entropy alloy is accepted in Advanced Materials!.
Nov, 2023 We are excited to have four new members joining the group officially this months. Welcome Lien (postdoc), Yufang(postdoc), Ke (PhD) and Mahesh (PhD)!
Oct, 2023 Our PhD student Lin Wang publishes her paper in Advanced Energy Materials on computational investigation of MAX as Al-ion battery electrodes.