Our collaborative work with the Markland group analyzing the performance of a hierarchy of spectroscopic methods for different model systems has been submitted. For now, read about it on ChemRxiv.

Stacey Conley, a high-school student with the ACS project SEED program, is back in the Isborn group for her second summer to continue her project modeling absorption spectra of molecules in different...

Aleksey's paper developing a method to include excitonic interactions between chromophores in the electo-optic effect of these organic materials is featured on the cover of J. Phys. Chem. C!

Duncan Gowland, a Ph.D. student at King's College in London, is visiting the Isborn group this summer.  Welcome Duncan!

Tim is presenting our work at the Northern California Theoretical Chemistry meeting at UC Berkeley.  He'll be speaking on "Static and dynamic approaches to computing spectral lineshapes."

Aleksey's paper is published in the Journal of Physical Chemistry C.

In this manuscript, we examine the role of excitonic interactions on the first hyperpolarizability for disordered aggregates...

Modeling absorption lineshapes of solvated chromophores is highly challenging because both solute‐solvent interactions and the coupling of the electronic excitation to the vibrational motion of the...

The Department of Energy has funded UC Merced's Center for Chemical Computation and Theory (ccCAT). Theorists Hratchian, Isborn, Pribram-Jones, Shi, and Strubbe will be working together to  develop...

The Department of Energy has funded UC Merced's Center for Chemical Computation and Theory (ccCAT). Theorists Hratchian, Isborn, Pribram-Jones, Shi, and Strubbe will be working together to  develop...