October 4, 2013

Feizhi passed his general exam!

Congratulations to Feizhi Ding who passed his general exam. Feizhi presented on his work developing efficient methods for solving the real-time time-dependent Hartree-Fock and density functional theory equations. He also discussed his application of these methods to the study of organic photovoltaics in collaboration with Professor Alex Jen’s and Professor David Ginger’s labs at the […]


October 1, 2013

Visiting student Alessio Petrone arrives from Italy

The Li group welcomes Alessio Petrone, a third-year Ph.D. student at the University of Napoli “Federico II”, from Naples, Italy. Alessio will be with the group through January working on new developments for post-SCF methods.


August 16, 2013

Bo’s paper on a guided SCF method for excited state wave function optimizations is now online

Bo Peng’s paper, titled “A Guided Self-Consistent-Field Method for Excited State Wave Function Optimization: Applications to Ligand Field Transitions in Transition Metal Complexes”, was accepted into the Journal of Chemical Theory and Computation and is now available online. The paper describes a new method that uses an eigenspace update-and-following idea to improve the SCF method […]


July 16, 2013

Incoming graduate student David Williams-Young joins the lab for summer 2013

The Li group welcomes incoming chemistry graduate student David Williams-Young to the group for the summer quarter. David is a recipient of one of the University of Washington’s Early Bird Research Assistantships for Summer 2013, which provides research funding to students looking to get an early jump on their graduate research. As an undergraduate at […]


July 1, 2013

Two new summer students join the lab

The Li group welcomes Katherine Lacy and Winston Wright to the lab. Katherine joins us from Willamette University in Salem, Oregon where she is a junior in the mathematics department with a minor in chemistry. Katherine joins the group as part of the Amgen Scholars Summer Research Program in Science and Biotechnology. The program “provides […]


April 25, 2013

Joseph wins CCG Excellence Award for the Fall 2013 ACS National Meeting

Congratulations, Joseph! Joseph is one of five recipients of the Chemical Computing Group (CCG) and the American Chemical Society’s (ACS) Division of Computers in Chemistry (COMP) Excellence Award for the Fall 2013 ACS National Meeting in Indiana. Joseph will receive financial support to present his poster titled, Theoretical investigation of ion diffusion pathways in II-VI […]


March 19, 2013

Josh’s paper on accelerating wave function optimizations just accepted

Josh Goings’ first paper since joining the group (and first paper ever!) was just accepted for publication in Advances in Quantum Chemistry. The paper is titled “Accelerating Wavefunction Optimization using Quasi-Newton DIIS” and presents a new method for wavefunction optimization that incorporates the direct inversion in the iterative subspace algorithm.


March 15, 2013

Two new fullerene-related publications now available online!

The group’s productive start to the new year continues: two new publications have now been accepted! Feizhi Ding was part of a collaborative work with Alex K.-Y. Jen’s group at the University of Washington that resulted in a publication titled “Solution-Processible Highly Conducting Fullerenes” in Advanced Materials. Feizhi provided DFT calculations to probe detailed information […]