Congratulations to Erica on passing her General Exam. Erica presented her work on using a Discrete Variable Representation (DVR) to describe ion mobility in quantum dot nanostructures. Congrats to Erica!

Josh Goings and Feizhi Ding published a paper in the Journal of Chemical Physics titled “Ab Initio Non-Relativistic Spin Dynamics“. The Generalized Hartree-Fock density was coupled to a magnetic field and propagated in real time. This was a non-relativist two-component spinor method, called TDN2C. This method allows for the resolution of non-collinear electron spins precessing about the magnetic field, the well-known Larmor precession. When additional coupling mechanisms are introduced this scheme will be able to resolve complex time-dependent magnetic properties.

Josh also published a paper with our collaborators in the Gamelin group in the Journal of Physical Chemistry C titled “Theoretical Characterization of Conduction-Band Electrons in Photodoped and Aluminum-Doped Zinc Oxide (AZO) Quantum Dots“. This paper investigated the electronic structure of Al-doped ZnO nanocrystals. Many of the spectroscopic features in these structures can be interpreted in the so-called “super” orbitals. These orbitals are similar to those seen in a hydrogenic systems or a quantum mechanical particle in a spherical potential.

We are pleased to welcome a new graduate student, Sajan Silwal to the group. Sajan originally hails from Nepal and obtained his undergraduate degree at Kalamazoo College in Michigan. There he did some experimental work looking on photodissociation, but became interested in programming and decided to switch to theory for graduate school. Welcome Sajan!