Issue 14, 2013
From the journal:

Soft Matter

Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states†

Avni Jain,a   Jeffrey R. Erringtonb  and  Thomas M. Truskett*a  

* Corresponding authors

a McKetta Department of Chemical Engineering, The University of Texas at Austin, Austin, TX 78712, USA
E-mail: truskett@austin.utexas.edu

b Department of Chemical and Biological Engineering, University of Buffalo, The State University of New York, Buffalo, New York 14260-4200, USA

Abstract

We demonstrate that inverse statistical mechanical optimization can be used to discover simple (e.g., short-range, isotropic, and convex-repulsive) pairwise interparticle potentials with three-dimensional diamond or simple cubic lattice ground states over a wide range of densities.

Graphical abstract: Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states

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Article information

DOI
https://doi.org/10.1039/C3SM27785B
Article type
Paper
Submitted
04 Dec 2012
Accepted
13 Feb 2013
First published
26 Feb 2013

Soft Matter, 2013,9, 3866-3870

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Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states

A. Jain, J. R. Errington and T. M. Truskett, Soft Matter, 2013, 9, 3866 DOI: 10.1039/C3SM27785B

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