November 17, 2014
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 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
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 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
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
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 […]
June 30, 2014
Feizhi’s most recent paper, “Quantum coherent plasmon in silver nanowires: A real-time TDDFT study“, has been accepted to the Journal of Chemical Physics. The paper approaches the common classical concept of the plasmon from a quantum perspective. Excitations along different axes of these 1D nanostructures are investigated and coherent wave packets are studied using real-time […]
June 19, 2014
Congratulations to Erica Chong for winning the 2013-2014 Outstanding TA Award! She has done an excellent job teaching a plethora of chemistry courses from the 100-400 level. We’re very happy that the department has decided to recognize her good work.