Recent experiments suggest that ground state chemical reactivity can be modified when
placing molecular systems inside infrared cavities where molecular vibrations are strongly …

Recent experiments demonstrate polaritons under the vibrational strong coupling (VSC)
regime can modify chemical reactivity. Here, we present a complete theory of VSC-modified …

In this short review, we provide an update of recent developments in Kramers' theory of
reaction rates. After a brief introduction stressing the importance of this theory initially …

In this paper, we develop quantum dynamical methods capable of treating the dynamics of
chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) …

We describe a multiple electronic state adaptation of the map** approach to surface
hop** introduced recently by Mannouch and Richardson [J. Chem. Phys. 158, 104111 …

Recent experiments in polariton chemistry have demonstrated that reaction rates can be
modified by vibrational strong coupling to an optical cavity mode. Importantly, this …

We present numerically exact quantum dynamics simulations using the hierarchical
equation of motion approach to investigate the resonance enhancement of chemical …

It is well-known that fewest-switches surface hop** (FSSH) fails to correctly capture the
quadratic scaling of rate constants with diabatic coupling in the weak-coupling limit, as …

We develop a multi-state generalization of the recently proposed map** approach to
surface hop** (MASH) for the simulation of electronically nonadiabatic dynamics. This …

Triplet excited state generation plays a pivotal role in photosensitizers, however the reliance
on transition metals and heavy atoms can limit the utility of these systems. In this study, we …