Intercalated moiré systems as a new class of quantum materials and using computation to accelerate phase space searches

Since the discovery of superconductivity in twisted bilayer graphene, moiré materials have been found to host many emergent quantum phenomena ranging from fractionalized excitations with non-trivial topology to Wigner crystal states. Recent work has augmented the huge parameters space in moiré materials of stacking, gating and twisting by the addition of intercalated atomic and molecular species between homo- and heterobilayers of 2D materials. In this talk, I will discuss our recent work on predicting novel emergent phenomena in intercalated 2D moiré systems using first-principles, symmetry analysis, and phenomenological approaches. This includes the prediction of a new route to achieving hard 2D magnets and topological superconductivity in collaboration with experimental groups. I will also discuss the prospects for the fine tuning of crystal-field environments of the intercalated species via moiré engineering. I finally highlight the enormous design space of find correlated emergent phenomena as a new class for designer quantum materials and the role of computational studies in rapidly identifying promising regions of phase space.