Our group is devoted to developing computational materials theory for 2D layered nanomaterials. We employ methods ranging from many-body perturbation theory, density functional theory, to empirical reactive forcefields to study the optical response, electronic structure, and the growth kinetics of atomically thin materials.
Why 86 elements?
That’s all we need from the pseudopotential lego store.
Get to know them. Don’t always skip technetium.