Makenzie's paper published in J. Phys. Chem. B shows how to more accurately model processes (such as electronic excitation) in solution by combining a quantum mechanical treatment of solvent molecules...
1st year grad students Karnamohit Ranka and Paniz Rahmani join the group. Welcome! Karnamohit brings expertise in electronic structure methods from his time in Rod Bartlett's group at QTP. Paniz is...
Christine heads to the ACS Meeting in Washington DC for the session on "Electronic Structure Methods in Complex Systems", organized by Sahar Sharifzadeh, James Shephard, and Filipp Furche. Her parents...
Christine is an organizer for the TDDFT summer school in Telluride (funded by DOE, MolSSI, RCSA, and Psi-K), and then the Excited States workshop the following week. 33 students & post-docs (including...
Aleksey's research comparing absorption spectra predicted by the exciton model and TDDFT is published in JCTC. In this paper, we examined the validity and accuracy of the exciton model for disordered...
Grad students Xochitl and Joel are both doing summer internships. Xochitl is working at Lawrence Livermore National Laboratory with Xavier Andrade and Joel is working at the Department of Justice...
Since Christine is still overwhelmed with keeping an infant alive, Aleksey will take her place at the Air Force Office of Scientific Research Organic Materials Portfolio Review Meeting. There he will...
The Isborn group presents their research at the ACS meeting in SF. Makenzie picks up her Wiley post-doc award, Xochitl and Joel both give posters, and Jessica wins a prize for undergraduate poster...
Joel's paper in J. Chem. Theory Comp. examines the size of QM region necessary for computing converged aqueous absorption spectra for solutes of varying polarity. We used large QM solvation regions...