The group research is framed within the molecular materials field, more precisely we study the magnetic properties of this kind of materials. In this way we try to achieve a better understanding of magnetic interactions, generate a database of magnetic pair interactions and try to find a magneto-structural relationship in order to design new magnetic materials with desired properties in a controlled way.
The procedure is based on simulating the macroscopic properties of crystals based on a calculation of the microscopic properties. Keeping this objective in mind, the magnetic interactions between pairs of radicals are calculated in ab initio level using quantum chemistry techniques, the magnetic topology of such material is defined and the macroscopic magnetic properties are simulated using the statistical mechanics tools.
