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 . . .
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, . . .
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!
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 . . .
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.
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 . . .
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 . . .
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. . . .