Photochemistry is a fascinating branch of chemistry that is concerned with molecules and
light. However, the importance of simulating light‐induced processes is reflected also in …

The merging of photoredox and nickel catalysis has revolutionized the field of C–C cross‐
coupling. However, in comparison to the development of synthetic methods, detailed …

The field of nonadiabatic dynamics has matured over the last decade with a range of
algorithms and electronic structure methods available at the moment. While the community …

The observable nature of topological phases related to conical intersections in molecules is
studied. Topological phases should be ubiquitous in molecular processes, but their elusive …

This roadmap article highlights recent advances, challenges and future prospects in studies
of the dynamics of molecules and clusters in the gas phase. It comprises nineteen …

Over the past decades, an important number of methods have been developed to simulate
the nonadiabatic dynamics of molecules, that is, the dynamics of molecules beyond the Born …

Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry,
spanning from the ultrafast reactions of photobases and acids to light-driven, enzymatic …

The exact factorization of the time-dependent electron–nuclear wavefunction has been
employed successfully in the field of quantum molecular dynamics simulations for …

The MPSDynamics. jl package provides an easy-to-use interface for performing open
quantum systems simulations at zero and finite temperatures. The package has been …

We present a theoretical framework for a hybrid linear vibronic coupling model
electrostatically embedded into a molecular mechanics environment, termed the linear …