This JCP article showcases our work collaborating with Nandini Ananth's group to accelerate the LSC-IVR nonadiabatic dynamics method by developing an interface with TeraChem. Code available on GitHub...
This manuscript compares simulated absorption and fluorescence spectra employing the nuclear ensemble approach that captures chromophore-solvent interactions, the implicit solvent Franck-Condon...
Undergrad Chem major Joe Kelleher joins the group, working this summer through the UROC program. After only one month of research, Joe presents his work at the Mercury conference, explaining how...
Sebastian will be participating in ACS Project SEED to do a research internship with us this summer. He will be exploring how different MM water models affect the simulating absorption spectrum.
This manuscript examines the effect of specific solvent interactions on the simulated spectral densities, reorganization energies, and absorption lineshapes of the cresyl violet chromophore in...
Omar has finished his BS degree in Chemistry! He's still wrapping up some calculations for his research project, and we are excited to see what he does next.
The 2024 WCTC meeting is held at UC Merced. It was great to see so many local theoretical chemists! Chris, Ajay, Arthur, Andrew, and Omar present at the poster session.
Christine is presenting at the session on "Recent Progress in Theoretical Methods for Coupled Quantum Systems." Chris and Arthur are giving talks and Andrew is presenting a poster. Many other...
Michele Pavanello, Will Glover, and Mark Tuckerman organize an excellent set of sessions focused on machine learning for molecules and materials. Christine presents on the recent ML work with Tom...
