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Computational explorations in the space of one-component crystalsJonathan P.K. Doye and Eva G. NoyaProc. Natl. Acad. Sci. USA 118, e2107024118 (2021)First paragraphHow complex an ordered assembly can be made using just a single particle type? When the particles are atoms and the ordered assemblies are limited to periodic crystals, the range of possibilities has been comprehensively mapped out (1). But the particles need not be atoms. Colloids, nanoparticles, proteins and DNA origami provide new building blocks whose shapes and interactions can be potentially fine-tuned to achieve a given assembly target. Furthermore, molecular simulations provide a means to systematically explore the space of possible particles mapping out the crystal forms that result. In this issue Dshemuchadse et al. do just this for particles interacting with isotropic multi-well potentials, finding many hitherto unknown and surprisingly complex one-component crystal structures (2).The full article is available from PNAS. It is a commentary on:
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