The Ben May Center for Chemical Theory and Computation supports activities and infrastructure that promote the theoretical and computational science in the Chemistry faculty. The Center aims at upgrading the faculty computer infrastructure to support cutting-edge research, at serving as a hub of activity for diverse groups of scientists and at creating an intellectual atmosphere that exposes young people, i.e. students and postdocs, to the relevant science being done in the theoretical and computational groups at the Chemistry faculty and elsewhere in the world.
Director
Prof. Gershom (Jan) Martin
Prof. Gershom (Jan) Martin is a computational quantum chemist whose work straddles the boundary between accurate wavefunction ab initio methods and density functional theory. Research interests include development of high-accuracy thermochemical models (e.g., W4 theory) and of minimally empirical double-hybrid DFT functionals such as revDSD-PBEP86. Applications pursued encompass homogeneous catalysis, unusual chemical bonds, and noncovalent interactions.
