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One of the fundamental goals of nanotechnology is to exploit selective anddirectional interactions between molecules to design particles thatself-assemble into desired structures, from capsids, to nano-clusters, to fullyformed crystals with target properties (e.g. optical, mechanical, etc.). Herewe provide a general framework which transforms the inverse problem ofself-assembly of colloidal crystals into a Boolean satisfiability problem forwhich solutions can be found numerically. Given a reference structure and thedesired number of components, our approach produces designs for which thetarget structure is an energy minimum, and also allows to exclude solutionsthat correspond to competing structures. We demonstrate the effectiveness ofour approach by designing model particles that spontaneously nucleate milestonestructures such as the cubic diamond, the pyrochlore and the clathratelattices.

Designing patchy interactions to self-assemble arbitrary structures