News

Latest News

Christine heads to San Diego for the Pacific Conference on Spectroscopy and Dynamics

January 25, 2018

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.

Read More Christine heads to San Diego for the Pacific Conference on Spectroscopy and Dynamics
Tim's paper is published in J. Chem. Phys. and is chosen as an Editor's Pick

January 14, 2018

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.

Read More Tim's paper is published in J. Chem. Phys. and is chosen as an Editor's Pick
Aleksey starts as a Professor at CNSU!

January 12, 2018

Aleksey starts as an Assistant Professors of Math and Physics at California Northstate University - Congrats!
Makenzie's paper on explicit + PCM solvent is published in JPC B

October 09, 2017

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...

Read More Makenzie's paper on explicit + PCM solvent is published in JPC B

The Isborn Group

Brad, Makenzie, and Nori's paper on Rabi Oscillations in RT-TDDFT is published in JCP

Baby William arrives (!) and Makenzie takes over quantum lectures

Joel Milanese joins the Isborn group as a grad student

Christine, Xochitl, and Makenzie head to the ACS meeting in SF

Dr. Makenzie Provorse arrives as a post-doc in the Isborn group

Christine heads to San Diego for the Pacific Conference on Spectroscopy and Dynamics

Tim's paper is published in J. Chem. Phys. and is chosen as an Editor's Pick

Aleksey starts as a Professor at CNSU!

Makenzie's paper on explicit + PCM solvent is published in JPC B