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In collaboration with Albert Bruix from the University of Barcelona, a new paper led by Felix Neumann on the shape and composition of nanoalloys just appeared in J. Chem. Phys. The atom ordering of nano-alloys is complex because different metals have specific preferences for occupying surfaces, edges, corners or the core of nanoparticles. These preferences result form a delicate balance between the interactions of the underlying elements. At the same time, the shape of a particle defines the surface-to-volume ratio, and the number of edge and corner sites. So far the composition and shapes of metallic nanoparticles have mostly been considered independently. Felix figured out an efficient optimal-exchange optimization algorithm that allowed us to explore these factors together, finding that the optimal particle shape can change as a function of the composition.