September 25, 2012
The result of a productive summer: three new publications now available online! Joseph May and Jeremy Lehner’s paper, titled “Transition State Search Using a Guided Direct Inversion in the Iterative Subspace Method,” was just published in the Journal of Chemical Theory and Computation. This paper presents a hybrid geometry optimization method for locating transition states […]
July 31, 2012
Feizhi Ding and Craig Chapman’s paper, titled “Mechanisms of bridge-mediated electron transfer: A TDDFT electronic dynamics study,” was just published in the Journal of Chemical Physics. This paper presents the results of using full Ehrenfest dynamics with nuclear motion to probe the dynamics of electron transfer in a donor-bridge-acceptor polyene dye scaffold. The paper is […]
June 18, 2012
The Li group welcomes Sara Tweedy, an undergraduate from Harvey Mudd College, to the group. Sara joins the group as part of the Amgen Scholars Summer Research Program in Science and Biotechnology. The program “provides hundreds of selected undergraduate students with the opportunity to engage in hands-on research experience at some of the nation’s leading […]
June 12, 2012
Congratulations to Joseph May for passing his third-year general examination. Joseph presented his work “Manipulating the Optical and Magnetic Properties of Zinc Oxide Quantum Dots”. Joseph is now a doctoral candidate and is free from worrying about exams until he defends his dissertation in a couple of years.
June 1, 2012
Today, the Li group says farewell to Dr. Wenkel Liang, who successfully defended his Ph.D. dissertation titled “From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theory and Applications” last month. Wenkel joined the research group in 2004 and has worked on numerous application and development projects resulting in 18 publications […]
May 24, 2012
Congratulations to Erica Chong, Feizhi Ding, and Phu Nguyen for passing the departmental second-year exam.
May 3, 2012
Joseph May and Ryan McMorris’ paper, “Ferromagnetism in p-Type Manganese-Doped ZnO Quantum Dots”, which describes how nitrogen dopants affect the magnetic ordering of manganese unpaired spins in zinc oxide quantum dots, was just accepted into the Journal of Physical Chemistry Letters. The “Just Accepted Manuscript” is available here.
April 13, 2012
Congratulations to former graduate student Christine Isborn who will start as an Assistant Professor of Chemistry at the University of California, Merced. Christine graduated with her Ph.D. from the group in May of 2009. Most recently, Christine has been a postdoctoral researcher for Todd Martinez at Stanford University. Christine is Xiaosong’s first student to graduate […]