January, 2015

January 21, 2015

Feizhi and David’s paper on non-equilibrium TD-PCM is now online.

The group’s first publication of 2015 details work in an area we have been interested in for some time: including environmental response in our simulations. The Polarizable Continuum Model (PCM) is often used to account for the dielectric response of the media surrounding the molecule of interest. Previous attempts at time-dependent PCM only accounted for […]


January 7, 2015

Why settle for one Italian postdoc when you can have two?

The group is happy to welcome Franco Egidi. Franco recently finished his Ph.D. with Vincenzo Barone and Chiara Cappelli at Scuola Normale Superiore in Pisa. He has published a number of papers on environmental effects, optical rotation, and vibrational spectroscopy. Franco is a welcome addition to the group and will be a big help on […]