Applications
(Photo)-Catalytic Reactions
The quantum nature of nuclei and their interaction with the electronic structure are relevant in all processes that link proton transfer to electronic (photo)-excitation such as (artificial) photosynthesis, hydrogen generation and storage, but also proton transport in ice and aqueous media.
Anharmonic Free Energies
Accurate Free Energies are central for the description of (catalytic) reactions of any kind.
Using statistical approaches, Free Energies of macroscopic phases can be modelled giving detailed insight into the stability of different phases and phase transitions.