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.