Jonathan Rawlinson

Phase space electronic structure theory could revolutionize our understanding of spin-related chemical phenomena, offering insights that traditional methods struggle to provide.

Nodal-line structures in chemical dynamics are surprisingly robust under symmetry, but their stability is not guaranteed when that symmetry is broken.

By parameterizing electronic structure calculations with both nuclear position and momentum, this work unlocks more accurate simulations of coupled nuclear-electronic motion, including effects like chiral induced spin selectivity.