1) Building fundamentals in the knowledge of subnanometric metal clusters. For instance, we are studying Jahn Teller distortions of subnanometric metal clusters isolated in the gas phase as well as the influence of the support on them.

2) Intermolecular Interactions, and, more specifically, the application of hybrid MP2+SAPT multireference and DFT approaches to the interaction of subnanometric metal clusters with molecular models of carbon-based supports and between themselves.

3) Fitting of the created dataset for dispersionless and dispersion contributions to inter-atomic potential models, comparing standard and machine-learning fitting procedures.

4) The application of the generated force-field in molecular dynamics simulations, comparing them with (existing and to be worked out) ab initio molecular dynamics simulations.

5) The infrared spectra of coinage metal clusters supported on graphene.

6) The UV-Vis spectra of subnanometric metal clusters supported on transition metal oxide oxides,including their encapsulation on porous materials, and the photo-activation of green-house gases adsorbed on these clusters.