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.


August 19, 2014

Incoming graduate student Hongbin Liu joins the group

The group is happy to have Hongbin Liu join the group after recently graduating from Fudan University. While at Fudan University, Honbin received 2nd prize for a “Scholarship for Outstanding Students” and an “International Workshop Travel Award”. After doing some spectroscopy and QM/MM work as an undergrad, Hongbin is very excited to start working on […]


July 25, 2014

The cubicles are filled with undergraduate researchers

The group is very happy to have 3 outstanding undergraduate researchers working with us this summer. Malte Lange is an undergraduate in the Biochemistry department here at UW and is part of the Amgen Scholars Program. He is working on a Lithium-ion battery project with David Lingerfelt. Shichao Sun and Yonghao Gu are from Fudan […]


July 25, 2014

The dynamics paper on photoionization of ZnO quantum dots is now online

Sean, David L, and Joseph have just put out a paper investigating the photoionization of Mn2+-doped ZnO quantum dots. The article investigates non-radiative decay in these structures using surface hopping non-adiabatic dynamics. The paper is titled “Non-adiabatic Molecular Dynamics Investigation of Photoionization State Formation and Lifetime in Mn2+-Doped ZnO Quantum Dots” and appears in Phys. […]


July 2, 2014

UW pays to get rid of Lestrange and Nguyen for a few days

Patrick and Phu both received the Graduate Student Travel Award from the UW Graduate School Fund for Excellence and Innovation. This award was to help pay for the upcoming trip to the 248th ACS National Meeting in San Francisco. Patrick will be presenting a poster on electronic dynamics in inorganic complexes and will be part […]