January 21, 2015
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
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 […]
December 8, 2014
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!
December 4, 2014
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 […]
December 1, 2014
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!
November 22, 2014
The group got some great news this week as David Lingerfelt, Josh Goings, and Patrick Lestrange all received the UW Graduate Student Merit Fellowship. This fellowship is awarded in recognition of outstanding academic scholarship based upon accomplishments in research and graded course work. This week, Patrick and David also received a fellowship through UW’s Clean […]
November 17, 2014
Xiaosong’s 100th publication has just been accepted to The Journal of Chemical Physics. Starting in 1999, Xiaosong has published papers focused on a variety of topics such as wave function and geometry optimization, electronic and nuclear dynamics, and various types of spectroscopies. This most recent paper is especially exciting because it focuses on spin dynamics, […]
November 17, 2014
Bo Peng has moved from “Graduate Student” to “PhD Candidate”. He gave a presentation on his work using spherical Gaussians to more efficiently calculate two electron repulsion integrals. Contrats to Bo!