When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …

Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

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

We present a nonadiabatic classical-trajectory approach that offers the best of both worlds
between fewest-switches surface hopping (FSSH) and quasiclassical mapping dynamics …

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

The violation of detailed balance poses a serious problem for the majority of current
quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the …

We compare the recently introduced multi-state mapping approach to surface hopping
(MASH) with the Förster and Redfield theories of excitation energy transfer. Whereas Förster …

The formalism of the generalized quantum master equation (GQME) is an effective tool to
simultaneously increase the accuracy and the efficiency of quasiclassical trajectory methods …

Trajectory-based methods that propagate classical nuclei on multiple quantum electronic
states are often used to simulate nonadiabatic processes in the condensed phase. A long …

Simulating the quantum dynamics of molecules in the condensed phase represents a
longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform …