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20052026
most citedDetermination of phase diagrams via computer simulation: Methodology and applications to water, electrolytes and proteins

285 citations · 2k across the 34 of their papers we have counts for

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Showing 2019Show all

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cond-mat.soft2019★ 29 cited

Programming patchy particles to form complex periodic structures

Daniel F. Tracey, Eva G. Noya, Jonathan P. K. Doye

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 comp…