When single layers of 2D materials are stacked on top of one another with a small twist in
orientation, the resulting structure often involves incommensurate moiré patterns. In these …

Atomically thin two-dimensional (2D) materials host a rich set of electronic states that differ
substantially from those of their bulk counterparts due to quantum confinement and …

We introduce the Computational 2D Materials Database (C2DB), which organises a variety
of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around …

We introduce configuration space as a natural representation for calculating the mechanical
relaxation patterns of incommensurate two-dimensional (2D) bilayers. The approach can be …

We provide a formal derivation of a reduced model for twisted bilayer graphene (TBG) from
Density Functional Theory. Our derivation is based on a variational approximation of the …

The incommensurate stacking of multilayered two-dimensional materials is a challenging
problem from a theoretical perspective and an intriguing avenue for manipulating their …

Recent developments in twisted and lattice-mismatched bilayers have revealed a rich phase
space of van der Waals systems and generated excitement. Among these systems are …

Quantum confinement endows two-dimensional (2D) layered materials with exceptional
physics and novel properties compared to their bulk counterparts. Although certain two-and …

The structural relaxation of multilayer graphene is essential in describing the interesting
electronic properties induced by intentional misalignment of successive layers, including the …

Building on discoveries in graphene and two-dimensional (2D) transition metal
dichalcogenides, van der Waals (VdW) layered heterostructures—stacks of such 2D …