Modeling and simulation of incommensurate 2D materials

Thursday, March 29, 2018 - 10:00am - 11:00am
Lind 409
Eric Cances (École Nationale des Ponts-et-Chaussées (ENPC))
After recalling the standard mathematical formalism used to model disordered systems such as random composite materials (mesoscale disorder), doped semiconductors, alloys, or amorphous materials (atomic-scale disorder), I will present a tight-binding model for computing the electrical conductivity of incommensurate multilayer 2D materials. All these models fall into the scope of the mathematical framework, based on non-commutative geometry, introduced by Bellissard to study the physical properties of aperiodic systems. Surprisingly, this rather abstract theoretical framework leads to completely new numerical schemes allowing one to perform simulations out of the scope of usual methods.