Check out Wei-Tao’s new paper in Chem. Sci. It describes an ab initio molecular dynamics (AIMD) study of non-radiative recombination in silicon nanoparticles (up to 1.7 nm) with dangling bond defects on their surfaces. These mark the first AIMD studies of semiconductor nanomaterials carried out using a multireference description of the electronic structure capable of accurately modeling the PES in the neighborhood of conical intersections involving the electronic ground state.
Also, congrats to Wei-Tao on his first first-author paper in the Levine group!