Welcome to my profile! I’m Reza Rajabi, a Ph.D. computational quantum chemist with experience in electronic structure theory, molecular and materials modeling, high-performance computing, and scientific software development.

My work spans catalysis, quantum information science, and heavy-element chemistry, with broader interests in machine learning, including machine-learned interatomic potentials, biomolecular modeling, and drug discovery. Explore my research, publications, CV, and projects here.