University at Buffalo

Join Our Lab

We have multiple openings for self-motivated Ph.D. and Master students to join our research group in Fall 2025! Our group is part of a highly interdisciplinary academic department with one-of-a-kind graduate programs that are uniquely positioned at the intersection of materials science and data science. We aim to train graduate students with transdisciplinary skillsets across materials modeling, electrochemistry, catalysis, surface science, data analytics, and machine learning to meet the career demands of an increasingly data-driven and cross-disciplinary world. While we are primarily a computational research group, we are deeply interested in having our students work with experimental collaborators to integrate high-throughput simulations and physics-driven machine learning to facilitate efficient, accurate, and rigorous elucidation of new atomistic insights and physical principles from convoluted experimental characterization data.

Prospective graduate (and UB undergraduate) students interested in joining our group are encouraged to directly email Jiayu (jypeng@buffalo.edu) with an attached CV and transcript and use the email subject line “Prospective Student – [Your Name].” In your email, please also provide a brief summary of your research interests and career goals. We welcome new students from diverse academic backgrounds, including but not limited to materials science, chemistry, physics, chemical engineering, mechanical engineering, and computational and information science. Past academic experience in any of the following subjects is helpful: solid-state physics, physical chemistry, thermodynamics, statistical mechanics, or deep learning, but no prior computational modeling experience is necessary as long as you are highly motivated to learn and apply new skills in our group.

We are not hiring postdoctoral scholars at this moment.