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...
Have you ever wondered about how to best model an absorption spectrum for a molecule in solution? How to account for vibronic and environmental effects? Our tutorial review has appeared (finally!) in...
Dr. Sapana Soni will be building off her previous work with Prof. Thomasz Wesolowski to study the linear and nonlinear optical properties of organic materials using TDDFT and exciton models.
Working with UC Merced Professors Erik Menke, Hrant Hratchian, Michelle Leslie, and Ben Stokes, along with Dr. Lynn Reimer, we plan to implement and assess a variety of new approaches to teaching and...
Two big trips to start off the school year: The ACS meeting in Boston is having a session on DFT and TDDFT, then the TDDFT summer school and workshop in Benasque, Spain. Both were great trips, with...