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Issue 14, 2013
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Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states

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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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Publication details

The article was received on 04 Dec 2012, accepted on 13 Feb 2013 and first published on 26 Feb 2013


Article type: Paper
DOI: 10.1039/C3SM27785B
Citation: 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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