The School of Aerospace and Mechanical Engineering at the University of Oklahoma is seeking a motivated PhD student to join Dr. Yanqing Su’s research group starting Fall 2026. The position is fully funded and focuses on computational catalysis, with research projects involving Density Functional Theory (DFT), calculations for surface adsorption and reaction mechanisms, and exploring the application of quantum computing in catalysis and materials modeling. The successful candidate will gain experience in cutting-edge computational chemistry and quantum computing, contributing to advancements in catalysis research. Applicants should have proven experience in DFT-based simulations and surface chemistry, a strong interest in quantum computing and its integration with computational chemistry, and solid programming skills in Python, C++, or Fortran. Experience with high-performance computing and familiarity with version control tools such as GitHub are also required. The minimum GPA requirement is 3.0, and students must take the GRE test either before admission or within the first year of graduate study, though there is no minimum GRE score requirement. English proficiency requirements must also be met. The position is fully funded, providing financial support for the duration of the PhD program. The University of Oklahoma is a Carnegie-R1 institution located in Norman, Oklahoma, offering a vibrant campus life and a strong research environment. Dr. Yanqing Su, the group leader, holds a PhD from Georgia Institute of Technology and is currently an assistant professor in the School of AME at OU. To apply, interested candidates should email Dr. Su with the subject line 'Ph.D. Student Position Application – Computational Catalysis', including a CV, GRE and TOEFL scores, publications, names and contact information of three references, and an unofficial transcript. More information about the program and requirements can be found on the AME School Ph.D. Requirements page. The application deadline for Fall 2026 is August 1, 2026.