Our work with the Robinson and Dalton groups on the "Optimization of Plasmonic-Organic Hybrid Electro-Optics" is published in the Journal of Lightwave Technology.

Here is the link.

Our collaboration with Tom Markland's group at Stanford University is published in J. Chem. Phys.

Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein...

Mini Isborn group reunion while giving a seminar at UC Irvine! REU student Jessica is now a Ph.D. student in David Mobley's group and ACS Project SEED student Chou is now an undergrad Chemistry major...

Christine and Tim head to Stanford University for this year's West Coast Theoretical Chemistry Symposium.

Christine will be presenting the group's research modeling excitation energies and absorption spectra of molecules in solution at the Pacific Conference on Spectroscopy and Dynamics in San Diego.

Tim's paper on modeling absorption spectra by combining the ensemble and Franck-Condon approaches has been published in J. Chem. Phys. and has been chosen as an Editor's Pick!

In this manuscript, we present an approach for modeling the band shapes of electronic absorption spectra of molecules in solution that combines both ensemble sampling of solute-solvent configurations and vibronic effects. For dyes in solution, capturing both inhomogeneous broadening of the solvent environment (which may be non-Gaussian for strong solute-solvent interactions) and the contribution to broadening from vibronic transitions is necessary for obtaining the correct spectral shape. Our approach treats all temperature effects classically through ensemble sampling of the ground state potential energy surface (including anharmonic regions of the PES), whereas the vibronic fine structure resulting from nuclear wave functions is treated at 0K through the Franck-Condon principle. These two approaches are then combined by dressing the vertical excitation energies with the Franck-Condon vibronic shape function.

Aleksey starts as an Assistant Professors of Math and Physics at California Northstate University - Congrats!

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...