Ab initio simulations of memristive systems: from the raw material to the device
Hibrid QM/MM methods applied to electronic transport simulations of graphene: appl...
Simulating electronic transport using QM/MM and adaptive Monte Carlo methods: appl...
Magnetism in metallic multilayered systems using ab-initio electronic structure ca...
Ab initio simulations of electronic transport in disordered nanostructures
2D Semiconductors for Photovoltaic Applications: Eletron-Phonon and Exciton-Phonon...