Open positions

We are always looking for motivated researchers at the UG, MS, PhD, and Post-doc levels. Most projects involve a mix of science, molecular simulations, and machine learning.

Current post-doc positions

We are actively recruiting for a senior post-doctoral or staff position in the fields of computational chemistry, catalysis, machine learning, and high performance computing. Application include energy storage, hydrogen production, fuel cells, water quality, and more.

The ideal applicant would have a strong background in computational chemistry for material science, chemistry, or catalysis, as well is high-throughput computing systems. Excellent programming skills and knowledge of HPC systems is important. Knowledge with at least one machine learning platform (pytorch/tensorflow/etc) is a plus. You would be expected to mentor students in the group and actively develop existing and new collaborations and initiatives.

Applicants at the PhD or Post-doctoral level are possible, and the position could either be a post-doc or staff scientist position for the right candidate. If you’re interested email (zulissi at with your background and CV.

Other post-doc positions are also possible, especially if there are fellowships or funding sources you plan to apply for.

Current PhD positions

All PhD recruitment is handled through the department of chemical engineering, but you are welcome to email us at if you have questions about the process. We are also happy to support fellowship applications ahead of time.

Undergraduates at CMU

We are also looking for motivated CMU undergraduates to help in our work. Generally we expect a two-summer commitment since there is a lot of background math/physics/etc required that isn’t covered at the undergraduate level. Email with questions or to chat. Students should plan to apply for either SURA or SURF/ChESS as reasonable.