4.8 Article

Algorithmic design of self-assembling structures

出版社

NATL ACAD SCIENCES
DOI: 10.1073/pnas.0901636106

关键词

ground state; inverse problem; polyhedra

资金

  1. National Science Foundation [DMS-0757765]

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We study inverse statistical mechanics: how can one design a potential function so as to produce a specified ground state? In this article, 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.

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