Congratulations to Levine group postdoc Arshad Mehmood for earning the College of Science and Engineering (CSE) Outstanding Dissertation Award at Texas Christian University, where he earned his Ph.D. in the group of Ben Janesko. Great work, Arshad!
Check out the group’s new JCP Perspective article on complete active space configuration interaction (CASCI) methods. In it, we argue that CASCI offers many advantages over the more widely used CASSCF approach, and we present several insights into orbital selection. In addition, we argue that CASCI is not just suitable for studying nanomaterials, but that it is more suitable for describing electronic excitations in nanomaterials than in smaller molecular systems.