Electron Localization in Incommensurately Stacked Layers of 2D Materials

This lecture by the instructor covers the importance of van der Waals interactions in 2D materials, the need for effective atomistic models, and the combination of various 2D materials. It explores the properties of incommensurately stacked layers, such as transition metal di-chalcogenides and graphene, and discusses moiré patterns in twisted bilayer graphene. The lecture delves into the effects of relaxation on twisted bilayers, the band structure of twisted bilayer graphene, and the superconducting phase diagram. It also addresses the mechanical response of 2D heterostructures, interlayer van der Waals interactions, and the quantum mechanical modeling of amorphous Li-Si. The presentation concludes with discussions on Si as an electrode material in Li-ion batteries and the training of atom-based neural networks for representing DFT energetics.