THEORETICAL AND COMPUTATIONAL NANOSCIENCE

The theoretical and computational Nanoscience group headed by ICREA Research Professor Stephan Roche (total of 7 researchers and regular visitors) investigates quantum transport phenomena in models of structurally and/or chemically modified and disordered graphene and topological insulators. The main targets include the effect of chemical and structural defects (vacancies, dopants, grain boundaries…), as well as electron-phonon coupling and spin-orbit interaction on quantum interferences, localization phenomena and spin relaxation mechanism. Strong efforts are devoted to the development of novel computational quantum transport methodologies to tackle realistic description and sizes of material under scrutiny. This concerns charge, spin, phonon, or polaron dynamics in complex matter. All research activities of the Group are closely connected to the experimental challenges endeavoured at ICN2 spanning from nanoelectronics, spintronics and phononics.