Related papers: Computational Indentation in Highly Cross-linked P…
We consider the entanglement entropy for the 2D Ising model at the conformal fixed point in the presence of interfaces. More precisely, we investigate the situation where the two subsystems are separated by a defect line that preserves…
Entanglement are the non-local correlations permitted by quantum theory, believed to play a fundamental role in a quantum computer. We have investigated these correlations in a number of theoretical models for condensed matter systems. Such…
The diffusion of molecules (penetrants) of variable size, shape, and chemistry through dense crosslinked polymer networks is a fundamental scientific problem that is broadly relevant in materials, polymer, physical and biological chemistry.…
An indentation testing method, which utilizes lateral contact of a long cylindrical indenter, is developed for a thin transversely isotropic incompressible elastic film deposited onto a smooth rigid substrate. It is assumed that the…
We study the indentation of ultrathin elastic sheets clamped to the edge of a circular hole. This classical setup has received considerable attention lately, being used by various experimental groups as a probe to measure the surface…
We analyze the problem of high-order polynomial approximation from a many-body physics perspective, and demonstrate the descriptive power of entanglement entropy in capturing model capacity and task complexity. Instantiated with a…
The aim of this dissertation is to clarify the structure of entanglement, a type of quantum correlations, in various quantum systems with a large number of degrees of freedom for holography between generic quantum systems and spacetimes…
Tensor networks are a very powerful data structure tool originating from quantum system simulations. In recent years, they have seen increased use in machine learning, mostly in trainings with gradient-based techniques, due to their…
Model stitching (Lenc & Vedaldi 2015) is a compelling methodology to compare different neural network representations, because it allows us to measure to what degree they may be interchanged. We expand on a previous work from Bansal,…
Hypergraphs, increasingly utilised to model complex and diverse relationships in modern networks, have gained significant attention for representing intricate higher-order interactions. Among various challenges, cohesive subgraph discovery…
Molecular self-assembly plays a very important role in various aspects of technology as well as in biological systems. Governed by the covalent, hydrogen or van der Waals interactions - self-assembly of alike molecules results in a large…
Reactive chemistry of molecular hydrogen at surfaces, notably dissociative sticking and hydrogen evolution, plays a crucial role in energy storage and fuel cells. Theoretical studies can help to decipher underlying mechanisms and reaction…
Topological constraints (TCs) between polymers determine the behaviour of complex fluids such as creams, oils and plastics. Most of the polymer solutions used every day life employ linear chains; their behaviour is accurately captured by…
By exact computer enumeration and combinatorial methods, we have calculated the designability of proteins in a simple lattice H-P model for the protein folding problem. We show that if the strength of the non-additive part of the…
The ideal strength is crucial for predicting material behavior under extreme conditions, which can provide insights into material limits, guide design and engineer for enhanced performance and durability. In this work, we present a method…
Entangled networks of stiff biopolymers exhibit complex dynamic response, emerging from the topological constraints that neighboring filaments impose upon each other. We propose a class of reference models for entanglement dynamics of stiff…
Hydrogel adhesion that can be easily modulated in magnitude, space, and time is desirable in many emerging applications ranging from tissue engineering, and soft robotics, to wearable devices. In synthetic materials, these complex adhesion…
High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…
Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantly impact conformational behavior at larger scales. To…
We study the micromechanics of collagen-I gel with the goal of bridging the gap between theory and experiment in the study of biopolymer networks. Three-dimensional images of fluorescently labeled collagen are obtained by confocal…