When a hydrogen or a deuterium atom is interacting with a graphene surface during scattering events, its energy loss determines if the projectile will be adsorbed or scattered. The energy loss highly depends on the initial ...

Machine learning potentials (MLPs) have become an indispensable tool for large-scale atomistic simulations, due to their accuracy comparable with ab-initio methods at considerably reduced computational cost. The development ...

The interplay between London dispersion interactions and hydrogen bonding is investigated by the binding preference of molecular scale systems in the gas phase. These molecular complexes consist of small alcohol molecules ...

Heterogeneous catalysis is an area of active research, because many industrially relevant reactions involve gaseous reactants and are accelerated by solid phase catalysts. In recent years, activity in the field has become ...

Supersonic molecular beams of highly vibrationally excited CO are scattered from atomically clean Au(111) and Ag(111) surfaces. Specifically, incident CO is prepared in the (v = 17, J = 0) state of the electronic ground ...