Related papers: Helix formation in linear achiral dendronized poly…
Nanometer-thick supported lms of polymer melts spontaneously form and spread around sessile droplets that are deposited on oxidized silicon wafers. At steady state, the lms become dense and adopt a uniform thickness which is equal to twice…
Hyperbranched block copolymers offer a simpler and more efficient synthesis route compared to more traditional dendritic systems, while still providing exceptional control over surface functionality and self-assembly. This makes them ideal…
We use numerical simulations to show how noninteracting hard particles binding to a deformable elastic shell may self-assemble into a variety of linear patterns. This is a result of the nontrivial elastic response to deformations of shells.…
We explore the coupling between the helix-coil and coil-globule transitions of a helical polymer using Monte Carlo simulations. A very rich state diagram is found. Each state is characterized by a specific configuration of the chain which…
We extend an efficient homogenization procedure based on a Haydock representation of the microscopic wave operator for the calculation of the macroscopic dielectric response of a periodic composite to the case of an arbitrary number of…
The Hofstadter model exemplifies a large class of physical systems characterized by particles hopping on a lattice immersed in a gauge field. Recent advancements on various synthetic platforms have enabled highly-controllable simulations of…
Helices of increased electron density can spontaneously form in materials containing multiple, interacting density waves. Although a macroscopic order parameter theory describing this behaviour has been proposed and experimentally tested, a…
We use computer simulations to investigate how a catalytic reaction in a polymer sol can induce the formation of a polymer gel. To this aim we consider a solution of homopolymers in which freely-diffusing catalysts convert the originally…
Macroscopic elastic core-shell systems can be generated as toy models to be deformed and haptically studied by hand. On the mesoscale, colloidal core-shell particles and microgels are fabricated and investigated by different types of…
Proteins are linear chain molecules that play a central role in life and health. Protein native state folds are modular assemblies of space-filling building blocks of {\alpha}-helices, \{beta}-sheets and tight turns. Here we deduce the…
In this work, merging ideas from compatible discretisations and polyhedral methods, we construct novel fully discrete polynomial de Rham sequences of arbitrary degree on polygons and polyhedra. The spaces and operators that appear in these…
We study the relation between $\alpha$-helix formation and folding for a simple artificial peptide, Ala$_{10}$-Gly$_5$-Ala$_{10}$. Our data rely on multicanonical Monte Carlo simulations where the interactions among all atoms are taken into…
We carry out numerical simulations of vesicle formation based on the density functional theory for block copolymer solutions. It is shown by solving the time evolution equations for concentrations that a polymer vesicle is spontaneously…
We obtain multi-soliton solutions with discrete symmetries in the chiral quark soliton model using the rational map ansatz. The solutions exhibit degenerate bound spectra of the quark orbits depending on the background of pion field…
Using harmonic emission from circularly polarized undulator is a procedure that is normally employed on synchrotron beamlines in order to extend the covered spectral range. A similar capability is likewise beneficial for next generation…
Fully localised patterns involving cellular hexagons or squares have been found experimentally and numerically in various continuum models. However, there is currently no mathematical theory for the emergence of these localised cellular…
We demonstrate that nascent polymer crystals (i.e., nuclei) are anisotropic entities, with neither spherical nor cylindrical geometry, in contrast to previous assumptions. In fact, cylindrical, spherical, and other high symmetry geometries…
Molecular dynamics simulations were performed for a polymer melt. In quiescent states, the inter-chain interaction energy supported by each particle takes relatively large values persistently for long times if the particle is close to an…
We introduce a model system of anisotropic colloidal `rocks'. Due to their shape, the bonding introduced via non-absorbing polymers is profoundly different from spherical particles: bonds between rocks are rigid against rotation, leading to…
The use of reduced models for investigating the self-assembly dynamics underlying protein shell formation in spherical viruses is described. The spontaneous self-assembly of these polyhedral, supramolecular structures, in which icosahedral…