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 . . .
Congratulations to the newly-minted Dr. Sean Fischer who successfully defended his Ph.D. dissertation titled “Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems”. Sean will continue his work for the next quarter as a postdoctoral researcher in the group.
Congratulations to Bo Peng and Jeremy Lehner for passing the departmental second-year exam. Bo presented his work on anisotropic exchange splittings in transition-metal-doped II-VI semiconducting nanocrystals. Jeremy presented his work on geometry optimization, discussing a modification to the rational function optimization for transition state optimizations.
The group’s first publication of the new year is now available online. Feizhi Ding was part of a collaborative work with Ben Van Kuiken of the Khalil group and Bruce Eichinger at the University of Washington that resulted in a publication titled “An efficient method for calculating dynamical hyperpolarizabilities using real-time time-dependent density functional theory” . . .
The Li group welcomes three new graduate students to the group: Joshua Goings, Patrick Lestrange, and David Lingerfelt. Josh comes to us from a land not so far away: Seattle Pacific University. Josh has a Bachelor of Science degree in Chemistry as well as in Biochemistry with a minor in biology. Patrick traveled a greater . . .
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 . . .
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 . . .
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 . . .