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Random heteropolymers do not display the typical equilibrium properties of globular proteins, but are the starting point to understand the physics of proteins and, in particular, to describe their non-native states. So far, they have been…
The mechanical properties of many supramolecular materials are often determined by non-covalent interactions that arise from an interplay between chemical composition and molecular microstructural organization. The reversible nature of…
G-quadruplexes are non-canonical DNA structures rather ubiquitous in human genome, which are thought to play a crucial role in the development of 85-90 % of cancers. Here, we present a novel coarse-grained approach in modeling…
Surface aging phenomena are discussed for semi-infinite systems prepared in a fully disordered initial state and then quenched to or below the critical point. Besides solving exactly the semi-infinite Ising model in the limit of large…
Morphological transformations of amphiphilic AB diblock copolymers in mixtures of a common solvent (S1) and a selective solvent (S2) for the B block are studied using the simulated annealing method. We focus on the morphological…
We describe a computational model for studying the complexity of self-assembled structures with active molecular components. Our model captures notions of growth and movement ubiquitous in biological systems. The model is inspired by…
We study analytically the one-dimensional Ising model with a random binary distribution of ferromagnetic and antiferromagnetic exchange couplings at zero temperature. We introduce correlations in the disorder by assigning a dimer of one…
We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length $N$, the number of blocks $n$, and the solvent quality by variation of…
We derive the mean-field theory of disordered block-copolymers composed of two monomeric species, combining Edwards' functional method with the replica technique of disordered systems. In the absence of disorder we recover the canonical…
We propose a model for chiral polymerisation and investigate its symmetric and asymmetric solutions. The model has a source species which decays into left- and right-handed types of monomer, each of which can polymerise to form homochiral…
We investigate theoretically the effect of polymer tension on the collective behavior of reversibly binding cross-links. For this purpose, we employ a model of two weakly bending wormlike chains aligned in parallel by a tensile force, with…
Many charged polymers, including nucleic acids, are locally stiff. Their bending rigidity -- quantified by the persistence length --, depends crucially on Coulombic features, such as the ionic strength of the solution which offers a…
Metals with values of the resistivity and the Hall coefficient much larger than typical ones, e.g., of sodium, are called semimetals. We suggest a model for semimetals which takes into account the strong Coulomb repulsion of the charge…
By means of Langevin dynamics simulations, we investigate the gel formation of randomly functionalized polymers in solution, with the ability to form both intra- and intermolecular reversible bonds. Under highly dilute conditions, these…
In the context of interacting particle systems, we study the influence of the action of the semigroup on the concentration property of Lipschitz functions. As an application, this gives a new approach to estimate the relaxation speed to…
The phase behavior of a single type of colloid C suspended in near-critical solvents is known to be very rich. Motivated in part by recent experiments we consider a mixture of two colloidal types C1 and C2 in a binary solvent close to its…
Rod-shaped colloids with attractive tips can form linear aggregates that may subsequently undergo hierarchical self-assembly into nematic fluids. Inspired by recent modelling efforts on chromonic liquid crystals, composed of discotic…
The scaling behavior of the entanglement entropy in the two-dimensional random transverse field Ising model is studied numerically through the strong disordered renormalization group method. We find that the leading term of the entanglement…
The behavior of dense mixtures of two topologically different diblock-copolymer (CP) chains, viz., linear(L)-CP and ring(R)-CP of same molecular weight which forms lamellae is studied under confinement by two non-selective substrates. The…
We present a new simulation scheme which allows an efficient sampling of reconfigurable supramolecular structures made of polymeric constructs functionalized by reactive binding sites. The algorithm is based on the configurational bias…