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Colloidal particles in polymer solutions and functionalized nanoparticles often exhibit short-range attraction coupled with long-range repulsion (SALR) leading to the spontaneous formation of symmetric patterns. Chiral nanostructures formed…
Simulations have acted as a cornerstone to understand MOF/polymer interface structure, however, no molecular-level simulation has yet been performed at the nanoparticle scale. In this work, a hybrid MARTINI/Force Matching (FM) force field…
A coarse-grained model to describe the lateral structure of a one-component polymer brush is presented. In this model, a single polymer chain is described by just two coordinates, namely the position of the grafted monomer, and the monomer…
In this article, we study the thermodynamic behavior of anisotropic shape (rod and disk) nanoparticle within the block copolymer matrix by using self-consistent field theory (SCFT) simulation. In particular, we introduce various defect…
The combinations of particle aspect ratio and enthalpic-barrier templates that lead to translational and orientational ordering of monolayers of rectangular particles are determined using Monte Carlo simulations and density functional…
Planar brushes formed by end-grafted semiflexible polyampholyte chains, each chain containing equal number of positively and negatively charged monomers is studied using molecular dynamics simulations. Keeping the length of the chains…
We present NanoImprint lithography experiments and modeling of thin films of block copolymers (BCP). The NanoImprint lithography is used to align perpendicularly lamellar phases, over distances much larger than the natural lamellar…
We have studied structure formation in a confined block copolymer melt by means of dynamic density functional theory (DDFT). The confinement is two-dimensional, and the confined geometry is that of a cylindrical nanopore. Although the…
The influence of an external field acting differently on the two constituents of a binary colloidal mixture performing Brownian dynamics is investigated by computer simulations and a simple theory. In our model, one half of the particles…
We report on the structural properties of mixed aggregates made from rare-earth inorganic nanoparticles (radius 20 Angstroms) and polyelectrolyte-neutral block copolymers in aqueous solutions. Using scattering experiments and Monte Carlo…
The self-assembly of nanocrystals enables new classes of materials whose properties are controlled by the periodicities of the assembly, as well as by the size, shape and composition of the nanocrystals. While self-assembly of spherical…
Engineered nanoparticles made from noble metals, rare-earth oxides or semiconductors are emerging as the central constituents of future nanotech developments. In this review, a survey of the complexing strategies between nanoparticles and…
In directed assembly, small building clocks are assembled into an organized structures under the influence of guiding fields. Capillary interactions provide a versatile route for structure formation. Colloids adsorbed on fluid interfaces…
Nanoparticle self-assembly is an efficient bottom-up strategy for the creation of nanostructures. In the standard approach, ligands are grafted on the surfaces of nanoparticles to keep them separated and control interparticle interactions.…
A comparative simulation study of polymer brushes formed by grafting at a planar surface either flexible linear polymers (chain length $N_L$) or (non-catenated) ring polymers (chain length $N_R=2 N_L$) is presented. Two distinct off-lattice…
Control of frictional interactions among liquid-suspended particles has led to tunable, strikingly non-Newtonian rheology via the formation of strong flow constraints as particles come into close proximity under shear. Typically, these…
Packing under confinement could generate rich ordered structures through entropic effects, which is a fundamental problem in condensed matter, biophysics and material science. The influence of confinement to the anisotropic hard…
We study the depletion-induced self-assembly of indented colloids. Using state-of-the-art Monte Carlo simulation techniques that treat the depletant particles explicitly, we demonstrate that colloids assemble by a lock-and-key mechanism,…
We investigated the formation of cocontinuous structures in polymer blends. These polymeric bijels (bicontinuous interfacially jammed emulsion gels) were composed of polystyrene oligomer, polybutene and fluorescent hydrophobic silica…
We performed extensive Monte Carlo simulations of the irreversible adsorption of polydispersed disks inside the cells of a patterned substrate. The model captures relevant features of the irreversible adsorption of spherical colloidal…