Timothy J. H. Hele

Retaining only the electronic centroid mode in spin-mapping nonadiabatic dynamics is sufficient to reproduce full $N$-bead path-integral accuracy while strictly conserving the Quantum Boltzmann Distribution.

The Spin-MInt algorithm's symplecticity is proven for any number of electronic states, a significant leap in the accuracy of nonadiabatic quantum dynamics simulations.

Achieving high accuracy in diradical electronic structure calculations with up to five orders of magnitude less computational time than traditional methods could revolutionize the design of next-gen optoelectronic materials.