Anthony Seitz, a new MSU graduate student from just up the road at UM Flint, is joining our group for the summer. He is on an Early Start Fellowship, and will spend the summer developing approximate methods for identifying conical intersections. Welcome, Anthony!
Take a look at Garrett’s new paper on norm-preserving interpolation (NPI), our new scheme for computing time-derivative couplings. NPI is designed to allow accurate integration of the time-dependent Schrodinger equation in spawning and surface hopping simulations even when the nonadiabatic coupling spikes on a timescale shorter than the simulation time step. It is easy to implement and does not require analytic calculations of the non-adiabatic coupling matrix elements.
Later in June the Levine group will be in Evanston, IL for the Midwest Theoretical Chemistry Conference. If you are there, make sure to see Garrett’s talk and to check out Yinan and Scott’s posters.