We know that molecular collisions initiate both physical and chemical change.  But can we predict the outcome of molecular collisions at the quantum state level accurately and quickly?    Over a number of years the McCaffery group performed experiments that revealed a new form of mechanics we had developed was the fastest and most efficient way to calculate changes in quantum state populations resulting from collisions.  This has opened up wholly new areas for exploration.

Having tested the new theory on inelastic, dissociative and reactive collisions and found it able to match single collision experiments, we are now branching out to predict how energy flows in large gas ensembles.   The goal is to build computer models of energy exchange in e.g. planetary atmospheres, gas lasers, combustion chambers, industrial plasmas etc. at the molecular level.   This will require, over time, further development of fundamental theory and of fast computational techniques.