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Here we introduce a numerical method for computing conductivity via the KuboFormula for incommensurate 2D bilayer heterostructures using a tight-bindingframework. We begin with deriving the momentum space formulation and KuboFormula from the real space tight-binding model using the appropriate Blochtransformation operator. We further discuss the resulting algorithm along withits convergence rate and computation cost in terms of parameters such asrelaxation time and temperature. In particular, we show that for lowfrequencies, low temperature, and long relaxation times conductivity can becomputed very efficiently using momentum space for a wide class of materials.We then demonstrate our method by computing conductivity for twisted bilayergraphene (tBLG) for small twist angles.

Efficient Computation of Kubo Conductivity for Incommensurate 2D Heterostructures