Teaching.
Characterization through modelling is becoming an increasingly more important topic in research and teaching as experimental methods are becoming better resolved and require assistance from modelling for a proper characterization. The overriding topic of my teaching visit at Uppsala University is exchange of teaching experiences and course topics in the field of molecular & materials modelling (modelling from my part and materials from the Uppsala part). The overriding topic of my "teaching topic" to transfer can be summarized as characterization and prediction of reactivity, catalysis, and non-covalent interactions and electron density analyses in coordination chemistry through interaction with students and research staff under various forms in Uppsala (see later frames), I will present methods and results of my research, including various tips and tricks. A short course will also be devoted to a more detailed explanation of some practical aspects of how to best obtain and interpret features of electron density in different model chemical systems using QTAIM, NBO and Hirshfeld surface analyses regarding to studying of non-covalent interactions (H-bonding and other types of intermolecular interactions). If I will have the opportunity to conduct a master class, I can show students how to use some specific computational chemistry software like Multiwfn or CrystalExplorer.
Research collaboration.
In the framework of this exchange program, it is also planned to start collaboration with Ångström Laboratory, Prof. Kersti Hermansson and her Computational Materials Chemistry group ("Teoroo") focused in the development of multiscale methods to bring chemical modelling closer to the complex dynamical systems of the real world, in fields such as catalysis, nanochemistry, and hydration phenomena.