相关论文: Topological Analysis of Linear Polymer Melts
We present an algorithm to compute path homology for simple digraphs, and use it to topologically analyze various small digraphs en route to an analysis of complex temporal networks which exhibit such digraphs as underlying motifs. The…
We perform computer simulations of mechanically linked (poly[2]catenanes, PC) and chemically bonded (bonded rings, BR) pairs of self-avoiding ring polymers in steady shear. We find that BR's develop a novel motif, termed gradient tumbling,…
Understanding topological features in networks is crucial for unravelling complex phenomena across fields such as neuroscience, condensed matter, and high-energy physics. However, identifying higher-order topological structures -- such as…
In this paper, we investigate a stochastic model describing the time evolution of a polymerization process. A polymer is a macro-molecule resulting from the aggregation of several elementary sub-units called monomers. Polymers can grow by…
The structure of polymer networks, defined by chain lengths and connectivity patterns, fundamentally influences their bulk properties. While existing polymer network models connect chain properties to emergent network behavior, they are…
We propose a new approach, named PolyMapper, to circumvent the conventional pixel-wise segmentation of (aerial) images and predict objects in a vector representation directly. PolyMapper directly extracts the topological map of a city from…
A classic network tomography problem is estimation of properties of the distribution of route traffic volumes based on counts taken on the network links. We consider inference for a general class of models for integer-valued traffic. Model…
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…
Topologically stabilized polymer conformations observed in melts of nonconcatenated polymer rings and crumpled globules, are considered to be a good candidate for the description of the spatial structure of mitotic chromosomes. Despite…
We propose a simple mean-field theory for the structure of ring polymer melts. By combining the notion of topological volume fraction and a classical van der Waals theory of fluids, we take into account many body effects of topological…
Natural and man-made transport webs are frequently dominated by dense sets of nested cycles. The architecture of these networks, as defined by the topology and edge weights, determines how efficiently the networks perform their function.…
The elasticity of disordered and polydisperse polymer networks is a fundamental problem of soft matter physics that is still open. Here, we self-assemble polymer networks via simulations of a mixture of bivalent and tri- or tetravalent…
Conformational transitions are ubiquitous in biomolecular systems, have significant functional roles and are subject to evolutionary pressures. Here we provide a first theoretical framework for topological transition, i.e. conformational…
Self-assembly of chiral particles with an L-shape is explored by Monte-Carlo computer simulations in two spatial dimensions. For sufficiently high packing densities in confinement, a carpet-like texture emerges due to the interlocking of…
In this review we provide an organized summary of the theoretical and computational results which are available for polymers subject to spatial or topological constraints. Because of the interdisciplinary character of the topic, we provide…
Spatial distributions are presented that quantitatively capture how polymer properties (e.g., segment alignment, density, and potential energy) vary with distance from nascent polymer crystals (nuclei) in prototypical polyethylene melts. It…
Most real-world networks are embedded in latent geometries. If a node in a network is found in the vicinity of another node in the latent geometry, the two nodes have a disproportionately high probability of being connected by a link. The…
Model reduction of biochemical networks relies on the knowledge of slow and fast variables. We provide a geometric method, based on the Newton polytope, to identify slow variables of a biochemical network with polynomial rate functions. The…
The 3D folding of a mammalian gene can be studied by a polymer model, where the chromatin fibre is represented by a semiflexible polymer which interacts with multivalent proteins, representing complexes of DNA-binding transcription factors…
The structure of the network can be described by motifs, which are subgraphs that often repeat themselves. In order to understand the structure of network motifs, it is of great importance to study subgraphs from the perspective of…