Algorithmic design of self-assembling structures

Abstract

We study inverse statistical mechanics: how can one design a potential function so as to produce a specified ground state? In this paper, we show that unexpectedly simple potential functions suffice for certain symmetrical configurations, and we apply techniques from coding and information theory to provide mathematical proof that the ground state has been achieved. These potential functions are required to be decreasing and convex, which rules out the use of potential wells. Furthermore, we give an algorithm for constructing a potential function with a desired ground state.