title: Exploiting classical nucleation theory for reverse self-assembly.
abstract: In this paper we introduce a new method to design interparticle interactions to target arbitrary crystal structures via the process of self-assembly. We show that it is possible to exploit the slope of the crystal nucleation free-energy barrier to sample and select optimal interparticle interactions for self-assembly into a desired structure. We apply this method to find interactions to target two simple crystal structures: a crystal with simple cubic symmetry and a two-dimensional plane with square symmetry embedded in a three-dimensional space. Finally, we discuss the potential and limits of our method and propose a general model by which a functionally infinite number of different interaction geometries may be constructed and to which our reverse self-assembly method could in principle be applied.
authors.affiliation: Department of Chemistry, Columbia University, New York, New York 10027, USA.
authors.forename: William L
authors.initials: WL
authors.lastname: Miller
authors.forename: Angelo
authors.initials: A
authors.lastname: Cacciuto