Research lines

Free-standing nanostructures

The computational study of free-standing nanostructures provides a unique insight of the structural, electronic, and magnetic properties of materials as going from the isolated atom to the bulk phases. These studies open new possibilities in fields like spintronics and molecular electronics. When exceptionally stable, some of these nanostructures with the appropriate properties can constitute building blocks of cluster assembled materials, exploring the concept of virtual fabrication ("virtual fab").

Supported nanostructures

When deposited on surfaces, the properties of nanostructures can be very different due to the interaction with the substrate. By exploring different deposited nanostructures and substrates it is possible to achieve a better understanding of electronic hybridization and structural relaxation, and how they affect the relevant properties of the system. Information storage and catalytic processes are fields in which these studies are relevant.

Complex magnetic interactions

The magnetic properties of materials can be very complex and are far from been completely understood. Combinations of particular metals, low-dimensionality, or structural defects produce rich magnetic behaviors, like non-collinear alignments of the magnetic moments, or magnetic frustration. The development and improvement of new theoretical methods and experimental techniques is allowing a continuous advance of the fundamental understanding of these problems.