The key research theme of our program is to develop systematic principles for the determination of effective reaction coordinates, dynamical descriptors, and pathways in molecular processes. We have chosen challenging molecular systems to study in three main thrust areas, outlined below, where we believe that progress in fundamental understanding would lead to technological breakthroughs.

Electronic charge flow through molecular scaffolds

Quantitative descriptions of biomolecular dynamics: computational and spectroscopic descriptors

Reaction coordinates for protein assembly and unfolding