Multi-electron, multi-proton transfer is important in a wide spectrum of processes spanning
biological, chemical and physical systems. These reactions have attracted significant …

The science of electrode processes will be a key to provide the game-changing technology
towards the ongoing challenges related to carbon neutrality, however further advancements …

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 …

Computing the charge mobility of molecular semiconductors requires a balanced set of
approximations covering both the electronic structure of the Hamiltonian parameters and the …

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-
dimensional and dissipative systems are crucial for the prediction of chemical dynamics in …