March 25, 2014

Two new papers with our collaborators now available online

Ongoing collaborative work with Professors Daniel R. Gamelin and David S. Ginger at the University of Washington have resulted in two new publications: “Direct Measurement of Acceptor Group Localization on Donor–Acceptor Polymers Using Resonant Auger Spectroscopy” and “Ferromagnetic excited-state Mn2+ dimers in Zn1−xMnxSe quantum dots observed by time-resolved magnetophotoluminescence“. In the first publication, Phu Nguyen […]


March 18, 2014

Bo’s paper on anisotropic dopant-carrier exchange interactions is now online

Bo Peng’s paper titled “Effects of Crystallographic and Shape Anisotropies on Dopant-Carrier Exchange Interactions in Magnetic Semiconductor Quantum Dots” is now available online in The Journal of Physical Chemistry C. This paper examines the role of nanocrystal shape and crystalline anisotropy on carrier-mediated magnetism in diluted magnetic semiconductor nanocrystals using density functional theory and analytical […]


February 6, 2014

Josh Goings passed his second-year exam!

Congratulations to Josh Goings, a second-year graduate student, who passed his departmental second-year exam today! Josh presented on his research titled “Equation of Motion Coupled Cluster for Excited States”. The exam involved a public presentation of Josh’s ongoing graduate research followed by a closed-door presentation of his research proposal with his exam committee.


February 3, 2014

David Lingerfelt’s first-ever publication just accepted!

David Lingerfelt’s paper titled “Dynamical Investigations of Inhomogenous Vibrational Broadening in Diluted Magnetic Semiconductor Nanocrystals” was just accepted for publication in the Journal of Physical Chemistry C. This is David’s first publication in the Li group and his first-ever publication in a peer-reviewed journal. Congratulations David! The paper presents a method for simulating finite-temperature, inhomogenously […]


October 8, 2013

Feizhi awarded department travel award

Congratulations to Feizhi Ding for being awarded the Department of Chemistry Travel Award. This award provides funds for students to travel to their alma mater during the 2013-2014 academic year to present their research. The award recognizes students for their excellent performance at the University of Washington and as an excellent spokesperson for the graduate […]


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 […]