Related papers: Star polymers as unit cells for coarse-graining cr…
Vitrimers are a class of crosslinked polymer that are capable of undergoing bond exchange reactions, allowing structural reorganization while maintaining overall network integrity. Two key features that are particularly relevant when this…
We develop a strategy for tensor network algorithms that allows to deal very efficiently with lattices of high connectivity. The basic idea is to fine-grain the physical degrees of freedom, i.e., decompose them into more fundamental units…
We propose microscopic density functional theory for inhomogeneous star polymers. Our approach is based on fundamental measure theory for hard spheres, and on Wertheim's first- and second-order perturbation theory for the interparticle…
Spin foams are models of quantum gravity and therefore quantum space time. A key open issue is to determine the possible continuum phases of these models. Progress on this issue has been prohibited by the complexity of the full…
We use molecular dynamics simulations to investigate the microscopic and macroscopic response of model polymer networks to uniaxial elongations. By studying networks with strands lengths ranging from $N_s=20$ to 200 we cover the full…
Several recently proposed semi--automatic and fully--automatic coarse--graining schemes for polymer simulations are discussed. All these techniques derive effective potentials for multi--atom units or super--atoms from atomistic…
Star-like microgels have recently emerged as a promising class of thermoresponsive soft colloids, that have an internal architecture similar to that of star polymers. Here, we perform extensive monomer-resolved simulations to theoretically…
Using an information theoretic point of view, we investigate how a dynamics acting on a network can be coarse grained through the use of graph partitions. Specifically, we are interested in how aggregating the state space of a Markov…
An innovative method is proposed to generate configurations of coarse grained models for polymer melts. This method, largely inspired by chemical ``radical polymerization'', is divided in three stages: (i) nucleation of radicals (reacting…
We perform equilibrium Langevin dynamics simulations to understand the structure-viscoelasticity relationship of a dually crosslinked reversible polymer network. The cross-linking is achieved by introducing orthogonal crosslinkers (A and B)…
Star polymer undergoes a transformation from a group of loosely coupled chains at low number of arms to a dense hairy colloid at their high number. This change affects solubility, aggregation and rheological behavior and is of much…
From understanding the sand on the beach to the foam on your beer, soft sphere simulations have been crucial to the study of the amorphous world around us. However, many of the materials we interact with on a daily basis aren't comprised of…
We perform the renormalization-group-like numerical analysis of geographically embedded complex networks on the two-dimensional square lattice. At each step of coarsegraining procedure, the four vertices on each $2 \times 2$ square box are…
We investigate the efficiency of gelation and network formation in telechelic star polymer melt, where the tips of polymer arms are dipoles while rest of the monomers are uncharged. Our work is motivated by the experimental observations…
We develop a machine-learning method for coarse-graining condensed-phase molecular systems using anisotropic particles. The method extends currently available high-dimensional neural network potentials by addressing molecular anisotropy. We…
We review recent results of the field theoretical renormalization group analysis on the scaling properties of star polymers. We give a brief account of how the numerical values of the exponents governing the scaling of star polymers were…
According to the current standard model of Cosmology, matter in the Universe arranges itself along a network of filamentary structure. These filaments connect the main nodes of this so-called 'Cosmic Web', which are clusters of galaxies.…
We investigate the behaviour of randomly cross-linked (co)polymer blends using a combination of replica theory and large-scale molecular dynamics simulations. In particular, we derive the analogue of the random phase approximation for…
We extend existing renormalization group calculations for the exponents describing scaling of star polymers and polymer networks constituted by chains of different species (the so-called copolymer star exponents). Our four loop results find…
Interstellar grains may be composite collections of particles of distinct materials, including voids, agglomerated together. We determine the various optical cross sections of such composite grains, given the optical properties of each…