Thermoelectric performance is evaluated by the ratio between electronic and thermal conduction properties: while the simultaneous optimization of electronic and thermal parameters is not easily feasible, low-dimensionality and topological states seem to be promising for the actual decoupling of these two aspects. The PhD project will exploit theoretical modeling and numerical simulations of topological and low-dimensional materials aiming at understanding their implications on thermoelectric properties (i.e. electronic structure, vibrational properties, electronic and thermal transport).