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.