December 8, 2014

Erica passed her General Exam!

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

Two recent publications are now available online

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

The group welcomes Sajan Silwal

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

It’s a big week for fellowships!

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

Congratulations to Xiaosong on his 100th publication!

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

Congratulations to Bo on passing his General Exam

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!


November 17, 2014

Josh’s paper on approximations to EOM-CC is now online

Josh recently investigated different N5 approximations to the traditional N6 scaling EOM-CCSD. The MBPT based variation was consistently better at describing Rydberg excitations while EOM-CC2 was able to resolve valence excitations more accurately. The paper is titled “Assessment of Low-scaling Approximations to the Equation of Motion Coupled-Cluster Singles and Doubles Equations” and is published in […]


September 26, 2014

Alessio and David’s Push/Pull Chromophore paper is now online!

Alessio and David L have recently put out a paper investigating electron and hole transport in push/pull polymers with RT-TDDFT. The paper was recently accepted by Physical Chemistry Chemical Physics and focuses on the exciton lifetime and propagation in several different donor/acceptor block copolymers.