Using the uncertainty principle to design simple interactions for targeted self-assembly.

J Chem Phys

Complex Systems Group, Department of Energy and Environment, Chalmers University of Technology, SE-41296 Göteborg, Sweden.

Published: July 2013

We present a method that systematically simplifies isotropic interactions designed for targeted self-assembly. The uncertainty principle is used to show that an optimal simplification is achieved by a combination of heat kernel smoothing and Gaussian screening of the interaction potential in real and reciprocal space. We use this method to analytically design isotropic interactions for self-assembly of complex lattices and of materials with functional properties. The derived interactions are simple enough to narrow the gap between theory and experimental implementation of theory based designed self-assembling materials.

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http://dx.doi.org/10.1063/1.4812727DOI Listing

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