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