February 22, 2016

Joe Kasper wins the 2016 PNNL Fellowship

Joe Kasper has won a 2016 Pacific Northwest National Lab Graduate Fellowship. This award is granted to outstanding first year graduate students at UW. Congratulations, Joe!

February 18, 2016

The Direct (Meta) Surface Hopping Paper is Online

David, David, and Alessio’s direct fewest switches surface hopping development paper was accepted to JCTC. Along with details of an efficient implementation of this popular non-adiabatic molecular dynamics approach for low-scaling, single reference excited state methods, a technique in the spirit of “meta-dynamics” that utilizes time-dependent perturbation theory and biased surface hopping trajectories to study […]

February 9, 2016

Four New Students Join the Group

The Li group is happy to welcome four new graduate students: Camille Houferak, Joe Kasper, Joseph Radler, and Shichao Sun. Camille comes to us from Barnard College in New York. Both of the Josephs come from schools in Indiana, Kasper from Taylor University and Radler from Purdue University. Shichao worked with us over the summer […]

January 20, 2016

Alessio brings in the first publication of 2016: Indium Phosphide Quantum Dots

The collaboration between the Cossairt and Li groups at UW boasts a new publication in The Journal of the American Chemical Society. For the first time the crystallographic structure of a “magic-sized” nanocluster, an important class of intermediates at the interface of small molecules and quantum dots, has been resolved. The obtained structure deviates from […]

December 15, 2015

How to describe XAS transition properties

Patrick and Franco have recently published a paper showing how to properly describe the quadrupole-allowed transitions that can be probed with X-ray Absorption Spectroscopy (XAS). Different commonly used schemes to describe transition properties were compared and their respective faults and merits were detailed. One scheme is origin dependent and violates the Thomas-Reiche-Kuhn sum rule for […]