Our main interest is currently along the following lines of research:
- CHAMP
Cornell-Holland Ab-Initio Materials Package - Quantum Monte Carlo methods
Latest developments - Multiscale modeling
Excited states in complex environments - Photosensitive proteins
Photosensitive proteins - DFT and GW+BSE
DFT and Green's function-based many-body perturbation theory for complex energy materials - Halide Perovskites
Electronic structure and dynamics of halide perovskites - Polymer Dynamics
Visco-elastic fluids, Polymers Liquid, Crystals - Machine Learning Force Fields