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The group research activity focuses on the design and theoretical characterization of new materials based on two-dimensional (2D) crystals that can be controlled by external stimuli. Specifically, we are focused on understanding their electronic, structural, magnetic and vibrational properties using first principles and model Hamiltonian methods, based on the tools provided by quantum chemistry, solid state physics and materials science. Our primary goal is both the development and application of efficient theoretical and computational frameworks as a driving force to create smart 2D materials Our research, on the boundary between physics and chemistry, also covers its possible applications in emerging fields such as magnonics, spintronics, quantum computing and sensing devices.
