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We present a mathematical model of polymer bilayers that undergo large bending deformations when actuated by non-mechanical stimuli such as thermal effects. The simple model captures a large class of nonlinear bending effects and can be…
The crystallisation of entangled polymers from their melt is investigated using computer simulation with a coarse-grained model. Using hybrid Monte Carlo simulations enables us to probe the behaviour of long polymer chains. We identify…
Dimerization and subsequent aggregation of polymers and biopolymers often occur under nonequilibrium conditions. When the initial state of the polymer is not collapsed or the final folded native state, the dynamics of dimerization can…
With suitably designed Monte Carlo simulations we have investigated the properties of mobile, impenetrable, yet deformable particles that are immersed into a porous matrix, the latter one realized via a frozen configuration of spherical…
In many instances one has to deal with parametric models. Such models in vector spaces are connected to a linear map. The reproducing kernel Hilbert space and affine- / linear- representations in terms of tensor products are directly…
We introduce and study deformations of finite-dimensional modules over rational Cherednik algebras. Our main tool is a generalization of usual harmonic polynomials for Coxeter groups -- the so-called quasiharmonic polynomials. A surprising…
During the carbonization process of raw polymer precursors, graphitic structures can evolve. The presence of these graphitic structures affects mechanical properties of the carbonized carbon fibers. To gain a better understanding of the…
Correlated {\em ab initio} electronic structure calculations are reported for the polymers lithium hydride chain $[LiH]_{\infty}$ and beryllium hydride $[Be_{2}H_{4}]_{\infty}$. First, employing a Wannier-function-based approach, the…
Strongly dipolar mesogenic compounds with a chiral center located in a lateral alkyl chain were synthesized, and shown to form the ferroelectric nematic phase. The presence of molecular chirality induced a helical structure in both the N…
In this paper an effective integrable non-linear model describing the electron spin dynamics in a deformable helical molecule with weak spin-orbit coupling is presented. Non-linearity arises from the electron-lattice interaction and it…
We present a new geometrically nonlinear Cosserat shell model incorporating effects up to order $O(h^5)$ in the shell thickness $h$. The method that we follow is an educated 8-parameter ansatz for the three-dimensional elastic shell…
Microgels are colloidal-scale particles individually made of crosslinked polymer networks that can swell and deswell in response to external stimuli, such as changes to temperature or pH. Despite a large amount of experimental activities on…
Biological organisms often have elongated, flexible structures with some degree of chirality in their bodies or movements. In nature, these organisms frequently take advantage of self-encapsulation mechanisms that create folded…
DNA is now firmly established as a versatile and robust platform for achieving synthetic nanostructures. While the folding of single molecules into complex structures is routinely achieved through engineering basepair sequences, much less…
We use monomer-resolved numerical simulations to study the positional and orientational structure of a dense dendrimer solution, focusing on the effects of dendrimers' prolate shape and deformability on the short-range order. Our results…
An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice…
We present a model, based on symmetry and geometry, for proteins. Using elementary ideas from mathematics and physics, we derive the geometries of discrete helices and sheets. We postulate a compatible solvent-mediated emergent pairwise…
Using one-dimensional simulations analyzed through the lens of open quantum systems, we study the photoelectron's strong-field dynamics from an atom surrounded by a scattering environment stochastically structured. We theoretically…
We consider a ternary mixture of hard colloidal spheres, ideal polymer spheres, and rigid vanishingly thin needles, which model stretched polymers or colloidal rods. For this model we develop a geometry-based density functional theory,…
Inspired by recent developments in self-assembled chiral nanostructures, we have explored the possibility of using spherical particles packed in cylinders as building blocks for chiral photonic crystals. In particular, we focused on an…