Abstract

 The goal of inverse self-assembly is to design inter-particle interactions capable of assembling the units into a desired target structure. Here, we propose a general framework named SAT -assembly [1,2], in which the interaction rules between the building blocks are coloured according to the solutions of a Boolean satisfiability problem (SAT) to ensure that all bonds are formed in the target structure. Additional conditions, such as the non-satisfiability of competing structures [1,2], the presence of azeotropic points [3], and two-step nucleation mechanisms [4], can also be imposed, allowing for effective engineering of the assembly path and a significant increase in yield. We will present several examples of successful in-silico assemblies, ranging from photonic crystals [1,2,5] to capsids [6], and the first experimental realization of some of these designs.