Welcome to the Bai Research Group at UMass Amherst! We are a group of computational chemical engineers interested in the development of molecular simulation and first-principles methods and their application to the study of catalysis and separation in complex materials systems.
We are always looking for highly motivated individuals to join our group.
News
Molecular Simulations Workshop: Hands-On Training with RASPA (February 22, 2026)
We are hosting a 4-day workshop at UMass Amherst (June 15--18th, 2026) for PhD students, postdocs & researchers interested in molecular simulations and porous materials. Topics include: Molecular…