Related papers: Self-assembly mechanism in colloids: perspectives …
Polymer-grafted nanoparticles are versatile building blocks that self-assemble into a rich diversity of mesostructures. Coarse-grained molecular simulations have commonly accompanied experiments by resolving structure formation pathways and…
We develop a multi-scale approach to simulate hydrated nanobio systems under realistic condi- tions (e.g., nanoparticles and protein solutions at physiological conditions over time-scales up to hours). We combine atomistic simulations of…
We show that geometric frustration in a broad class of deformable and naturally curved, shell-like colloidal particles gives rise to self-limiting assembly of finite-sized stacks that far exceed particle dimensions. When inter-particle…
Active fluids generate spontaneous, often chaotic mesoscale flows. Harnessing these flows to drive embedded soft materials into structures with controlled length scales and lifetimes is a key challenge at the interface between the fields of…
The construction of coarse-grained descriptions of a system's kinetics is well established in biophysics. One prominent example is Markov state models in protein folding dynamics. In this paper, we develop a coarse-grained, discrete state…
Recent progress in colloidal science has led to elaborate self-assembled structures whose complexity raises hopes for elaborating new materials. However, the throughputs are extremely low and consequently, the chance to produce materials of…
Entropically driven fluid-solid transitions in monodisperse, purely repulsive hard spheres (MPRHS) are well established in theory, simulation, and experiment for atomic and colloidal systems. For MPRHS, however, coexistence is usually…
We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel potential to describe patchy interactions between…
A collection of spherical particles can be packed tightly together into an amorphous packing known as "random close packing" (RCP). This structure is of interest as a model for the arrangement of molecules in simple liquids and glasses, as…
We present a quantitative measure of physical complexity, based on the amount of information required to build a given physical structure through self-assembly. Our procedure can be adapted to any given geometry, and thus to any given type…
Biomolecular condensates are liquid- or gel-like droplets of proteins and nucleic acids formed at least in part through liquid-liquid phase separation. Condensates enable diverse functions of cells and the pathogens that infect them,…
Spontaneous mechanical self-assembly of monodisperse bubbles generally leads to disordered foams at low density: producing crystalline structures such as Kelvin foams has proven to be challenging experimentally, despite them being a minimum…
Active colloids self-organise to a variety of collective states, ranging from highly motile 'molecules' to complex 3D structures. Using large-scale simulations, we show that hydrodynamic interactions, together with a gravity-like aligning…
The goal of inverse self-assembly is to design inter-particle interactions capable of assembling the units into a desired target structure. The effective assembly of complex structures often requires the use of multiple components, each new…
We study the percolation properties for a system of functionalized colloids on patterned substrates via Monte Carlo simulations. The colloidal particles are modeled as hard disks with three equally-distributed attractive patches on their…
A critical step in tissue engineering is the design and synthesis of 3D biocompatible matrices (scaffolds) to support and guide the proliferation of cells and tissue growth. Most existing techniques rely on the processing of scaffolds under…
Molecular self-assembly plays a very important role in various aspects of technology as well as in biological systems. Governed by the covalent, hydrogen or van der Waals interactions - self-assembly of alike molecules results in a large…
Slow long-lived fluctuations of mechanical properties of drying drops of instant coffee water solutions have been found by means of the Drying Drop Technology developed earlier. Parameters of the fluctuations depended on the extent of…
Colloidal aggregation could be implemented in various fields ranging from purely colloidal thermodynamics to protein interactions, their stability, and maybe folding. Indeed, colloidal aggregation is closely linked to the so-called…
We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…