In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …

An active environment is any atomic or molecular system changing a chromophore's
nonadiabatic dynamics compared to the isolated molecule. The action of the environment on …

In this work, we present the first implementation of coupled-trajectory Tully surface hopping
(CT-TSH) suitable for applications to molecular systems. We combine CT-TSH with the …

The coupled quantum dynamics of electrons and protons is ubiquitous in many dynamical
processes involving light-matter interaction, such as solar energy conversion in chemical …

The exact factorization approach has led to the development of new mixed quantum-
classical methods for simulating coupled electron–ion dynamics. We compare their …

The coupled-trajectory mixed quantum–classical method (CTMQC), derived from the exact
factorization approach, has successfully predicted photo-chemical dynamics in a number of …

While surface hopping has emerged as a powerful method for simulating non-adiabatic
dynamics in large molecules, the ad hoc nature of the necessary velocity adjustments and …

Electronic coherences are key to understanding and controlling photoinduced molecular
transformations. We identify a crucial quantum-mechanical feature of electron-nuclear …

Advances in coherent light sources and development of pump–probe techniques in recent
decades have opened the way to study electronic motion in its natural time scale. When an …

This Perspective offers an overview of the applications of the exact factorization of the
electronnuclear wavefunction to the domain of theoretical photochemistry, where the aim is …