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- Christos N Likos, Bianca M Mladek, Dieter Gottwald, Gerhard Kahl
- The Journal of chemical physics
- 2007

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)

- Francisco J Martinez-Veracoechea, Bianca M Mladek, Alexei V Tkachenko, Daan Frenkel
- Physical review letters
- 2011

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)

- Bianca M Mladek, Dieter Gottwald, Gerhard Kahl, Martin Neumann, Christos N Likos
- Physical review letters
- 2006

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)

- Bianca M Mladek, Julia Fornleitner, Francisco J Martinez-Veracoechea, Alexandre Dawid, Daan Frenkel
- Physical review letters
- 2012

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)

- Bianca M Mladek, Gerhard Kahl, Christos N Likos
- Physical review letters
- 2008

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)

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)

- Bianca M Mladek, Dieter Gottwald, Gerhard Kahl, Martin Neumann, Christos N Likos
- The journal of physical chemistry. B
- 2007

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)

- Christos N. Likos, Bianca M. Mladek, Angel J. Moreno, Dieter Gottwald, Gerhard Kahl
- Computer Physics Communications
- 2008

In this paper, we present a short review as well as novel results on a recently established counterintuitive phenomenon of cluster aggregation of particles that interact via purely repulsive interactions. We demonstrate how repulsion can lead to clustering provided that the interaction allows full particle overlaps and also displays negative Fourier… (More)

- Bianca M Mladek, Patrick Charbonneau, Daan Frenkel
- Physical review letters
- 2007

We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals, it is essential to treat the number of lattice sites as a constraining thermodynamic variable. The resulting free-energy calculations thus differ considerably from schemes used for… (More)

- Dominic A Lenz, Bianca M Mladek, Christos N Likos, Ronald Blaak
- The Journal of chemical physics
- 2016

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)