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We demonstrate the accuracy of the hypernetted chain closure and of the mean-field approximation for the calculation of the fluid-state properties of systems interacting by means of bounded and positive pair potentials with oscillating Fourier transforms. Subsequently, we prove the validity of a bilinear, random-phase density functional for arbitrary(More)
We report a Monte Carlo simulation study of the phase behavior of colloids coated with long, flexible DNA chains. We find that an important change occurs in the phase diagram when the number of DNAs per colloid is decreased below a critical value. In this case, the triple point disappears and the condensed phase that coexists with the vapor is always(More)
We present results from density functional theory and computer simulations that unambiguously predict the occurrence of first-order freezing transitions for a large class of ultrasoft model systems into cluster crystals. The clusters consist of fully overlapping particles and arise without the existence of attractive forces. The number of particles(More)
We present a coarse-grained model of DNA-functionalized colloids that is computationally tractable. Importantly, the model parameters are solely based on experimental data. Using this highly simplified model, we can predict the phase behavior of DNA-functionalized nanocolloids without assuming pairwise additivity of the intercolloidal interactions. Our(More)
Recently, particular interest has been placed in the study of a strikingly counter-intuitive phenomenon: the clustering of purely repulsive soft particles. This contribution serves the purpose of both reviewing our current understanding of the multiple occupancy crystals and presenting details of recently developed tailor-cut approaches to the problem. We(More)
We numerically investigate the formation of stable clusters of overlapping particles in certain systems interacting via purely repulsive, bounded pair potentials. In close vicinity of a first-order phase transition between a disordered and an ordered structure, clusters are encountered already in the fluid phase which then freeze into crystals with multiply(More)
Recent theoretical studies have predicted a new clustering mechanism for soft matter particles that interact via a certain kind of purely repulsive, bounded potentials. At sufficiently high densities, clusters of overlapping particles are formed in the fluid, which upon further compression crystallize into cubic lattices with density-independent lattice(More)
We pursue the goal of finding real-world examples of macromolecular aggregates that form cluster crystals, which have been predicted on the basis of coarse-grained, ultrasoft pair potentials belonging to a particular mathematical class [B. M. Mladek et al., Phys. Rev. Lett. 46, 045701 (2006)]. For this purpose, we examine in detail the phase behavior and(More)
We present results of monomer-resolved Monte Carlo simulations for a system of amphiphilic dendrimers of the second generation. Our investigations validate a coarse-grained level description based on the zero-density limit effective pair-interactions for low and intermediate densities, which predicted the formation of stable, finite aggregates in the fluid(More)
We study the low-temperature behavior of a simple cluster-crystal forming system through simulation. We find the phase diagram to be hybrid between the Gaussian core model and the penetrable sphere model. The system additionally exhibits S-shaped doubly reentrant phase sequences as well as critical isostructural transitions between crystals of different(More)