Karnamohit's work studying size-dependent errors within the adiabatic approximation as seen in density based electron dynamics is now published in JCP! 

In this work we demonstrate the size...

Vince has taken a position as an Environmental Scientist for the California Department of Pesticide Regulation. He will be modeling pesticide flow. Best of luck in the future!

Work with the groups of Chris Giebink and Joel Yuen-Zhou has been published in Nature Communications. Here we modeled excited states for molecules under investigation for the study of polariton...

Post-doc Chris Myers has joined the group! Chris brings an enthusiasm for coding and all things science and energy decomposition, along with extensive expertise in biophysics and molecular dynamics...

Harish is presenting on our collaborative work on "Dynamic Learning of Correlation Potentials for a Time-Dependent Kohn-Sham System" at the 4^th Annual Learning for Dynamics & Control Conference in...

This publication combines forces and expertise of the Isborn, Hratchian, Pribram-Jones, and Shi groups, along with great contributions from Tim and Duncan! This study led by Ali and Shao-Yu examines...

Heading to our first in-person conference since 2019!

Ajay will be giving a talk on modeling emission with combined ensemble and Franck-Condon methods, Vince will be giving a talk on capturing...

Shao-Yu's paper  is now published in J. Phys. Chem. B. 

In this collaborative work with Liang Shi's group, we expand our previous study of how the treatment of the environment affects simulations...

We had a great time hiking around the Mariposa resevoir, smelling bay leaves, avoiding poison oak, and pushing ourselves up some hills.  Exciting citrus-ginger juices were discovered after the hike.