Design of two-dimensional particle assemblies using isotropic pair interactions with an attractive well

Abstract

Using ground-state and relative-entropy based inverse design strategies, isotropic interactions with an attractive well are determined to stabilize and promote assembly of particles into two-dimensional square, honeycomb, and kagome lattices. The design rules inferred from these results are discussed and validated in the discovery of interactions that favor assembly of the highly open truncated-square and truncated-hexagonal lattices.