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Programming patchy particles to form complex periodic structures
2019
Journal of Chemical Physics
We introduce a scheme to design patchy particles so that a given target crystal is the global free-energy minimum at sufficiently low temperature. A key feature is a torsional component to the potential that only allows binding when particles have the correct relative orientations. In all examples studied, the target crystal structures readily assembled on annealing from a low-density fluid phase, albeit with the simpler target structures assembling more rapidly. The most complex example was a
doi:10.1063/1.5128902
pmid:31837674
fatcat:74fulh7ar5bzrnxb4kvfongzkq