Related papers: Directed self-assembly of spherical caps via confi…
Recent numerical simulations of hard helical particle systems unveiled the existence of a novel chiral nematic phase, termed screw-like, characterised by the helical organization of the particle C$_2$ symmetry axes round the nematic…
Recent developments in the synthesis of colloidal particles allow for control over shape and inter-particle interaction. One example, among others, is the so-called "Mickey Mouse" (MM) particle for which the self-assembly properties have…
Multiblock copolymer chains in implicit nonselective solvents are studied by Monte Carlo method which employs a parallel tempering algorithm. Chains consisting of 120 $A$ and 120 $B$ monomers, arranged in three distinct microarchitectures:…
2-TIPS (Two Temperature induced phase separation) refers to the phase separation phenomenon observed in mixtures of active and passive particles which are modelled using scalar activity. The active particles are connected to a thermostat at…
Triangular lattice models for pattern formation by hard-core soft-shell particles at interfaces are introduced and studied in order to determine the effect of the shell thickness and structure. In model I, we consider particles with…
Shell effects in the coordinate space can be seen with degenerate Fermi vapors in non-uniform trapping potentials. In particular, below the Fermi temperature, the density profile of a Fermi gas in a confining harmonic potential is…
We study a phenomenological model in which the simulated packing of hard, attractive spheres on a prolate spheroid surface with convexity constraints produces structures identical to those of prolate virus capsid structures. Our simulation…
Spontaneous segregation of run-and-tumble particles with different velocities in microchannels is investigated by numerical simulations. Self-propelled particles are known to accumulate in the proximity of walls. Here we show how fast…
In living cells, proteins self-assemble into large functional structures based on specific interactions between molecularly complex patches. Due to this complexity, protein self-assembly results from a competition between a large number of…
We simulate a two dimensional model of self-propelled particles confined by a deformable boundary. The particles tend to accumulate near the boundary and the shape of the boundary deforms upon the collisions. We find that there are two…
The packing of hard spheres (HS) of diameter $\sigma$ in a cylinder has been used to model experimental systems, such as fullerenes in nanotubes and colloidal wire assembly. Finding the densest packings of HS under this type of confinement,…
Shape anisotropy of colloidal nanoparticles has emerged as an important design variable for engineering assemblies with targeted structure and properties. In particular, a number of polyhedral nanoparticles have been shown to exhibit a rich…
I consider a generic coarse-grained model suitable for the study of bulk self-assembly of liquid crystal (LC) macromolecules. The cases include LC dendrimers, gold nanoparticles modified by polymer chains with terminating LC groups and…
We study a surface model with a self-avoiding (SA) interaction using the canonical Monte Carlo simulation technique on fixed-connectivity (FC) triangulated lattices of sphere topology. The model is defined by an area energy, a deficit angle…
We consider self-assembly of proteins into a virus capsid by the methods of molecular dynamics. The capsid corresponds either to SPMV or CCMV and is studied with and without the RNA molecule inside. The proteins are flexible and described…
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be…
Using Aggregation-Volume-Bias Monte Carlo simulations along with Successive Umbrella Sampling and Histogram Re-weighting, we study the phase diagram of a system of dumbbells formed by two touching spheres having variable sizes, as well as…
We study the interplay between phase separation and self-assembly in chains, rings and branched structures in a model of particles with dissimilar patches. We extend Wertheim's first order perturbation theory to include the effects of ring…
We have invented a new algorithm to use with self-gravitating SPH Star Formation codes. The new method is designed to enable SPH simulations to self-regulate their numerical resolution, i.e. the number of SPH particles; the latter is…
We report extensive simulation studies of phase behaviour in single component systems of particles interacting via a core-softened interparticle potential. Two recently proposed examples of such potentials are considered; one in which the…