Computational approaches are of nowadays of utmost importance in the field of nanoscience and nanotechnology, to understand the physics of new materials and to design more efficient devices.

Despite recent advances in specific fields, such as quantum chemistry and solid-state physics, much less attention  have been paid to the multiscale integration of different computational techniques. Such integration is of fundamental importance to tackle several challenging applicative problems in nanoscience.

The computational activity of the Research unit will be to develop new computational methods for the Integrated Multiscale Computational Technology project of the IIT Computational Platform and to  apply them to applications of large interest for the Energy and Smart Material platforms, such as semiconductor nanocrystals and organic-inorganic interfaces.