Research at the MoLNaC is geared towards the interface between catalysis and material science.

Understanding (and possibly solving) chemical problems, especially of industrial relevance, is our main activity. To this end we use the armory of tools known as computational chemistry. The areas of interest span from understanding structure and function relationship in organometallic compounds, to unraveling the mechanistic of catalysts at work, to soft condensed matter simulations. Finally, we are not shy to tackle systems of biological interest. In all cases we try to interact as much as possible with experimentalists. Often we are unsatisfied with the available tools and/or models and we develop new ones. Particular interest is devoted to development of methods for modelling systems across time and length scales.