Related papers: A local orientational order parameter for systems …
Complex crystal structures are composed of multiple local environments, and how this type of order emerges spontaneously during crystal growth has yet to be fully understood. We study crystal growth across various structures and along…
Integrable differential identities, together with ensemble-specific initial conditions, provide an effective approach for the characterisation of relevant observables and state functions in random matrix theory. We develop this approach for…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Many tools and techniques measure local structure in materials in contexts ranging from biology to geology. We provide a survey of those tools and metrics that are especially useful for analyzing particulate soft matter. The metrics we…
Bohr's dictum "Physical phenomena are observed relative to different experimental setups" is applied to a set of binary elements that represent the smallest units of information. A description relative to "macroscopic" setups of such…
Mapping an atomistic configuration to an $N$-point correlation of a field associated with the atomic positions (e.g. an atomic density) has emerged as an elegant and effective solution to represent structures as the input of…
This theoretical paper discusses microscopic models giving rise to special types of order in which conduction electrons are bound together with localized spins to create composite order parameters. It is shown that composite order is…
We examine a two-dimensional nonequilibrium lattice model where particles adsorb at empty sites and desorb when the number of neighbouring particles is greater than a given threshold. In a certain range of parameters the model exhibits…
In this paper, we try to establish a connection between a quantum information concept, i.e. the mutual information, and the conventional order parameter in condensed matter physics. We show that a non-vanishing mutual information at a long…
We study a stochastic Hamiltonian system of $N$ particles with many particles interacting through a potential whose range is large in comparison with the typical distance between neighbouring particles. It is shown that the empirical…
Without any knowledge of the symmetry existing in the system, we derive the exact forms of the order parameters which show long-range correlation in the ground state of the one-dimensional extended Hubbard model using a quantum information…
For any constant $d$ and parameter $\varepsilon > 0$, we show the existence of (roughly) $1/\varepsilon^d$ orderings on the unit cube $[0,1)^d$, such that any two points $p,q\in [0,1)^d$ that are close together under the Euclidean metric…
Many real objects are modeled as discrete sets of points, such as corners or other salient features. For our main applications in chemistry, points represent atomic centers in a molecule or a solid material. We study the problem of…
We consider a large class of interacting particle systems in 1D described by an energy whose interaction potential is singular and non-local. This class covers Riesz gases (in particular, log gases) and applications to plasticity and…
In this paper we consider the problem of characterizing the minimum energy configurations of a finite system of particles interacting between them due to attracting or repulsive forces given by a certain inter molecular potential. We limit…
The objective of electrical impedance tomography is to reconstruct the internal conductivity of a physical body based on measurements of current and potential at a finite number of electrodes attached to its boundary. Although the…
The polarizable embedding (PE) model is a fragment-based quantum-classical approach aimed at accurate inclusion of environment effects in quantum-mechanical response property calculations. The aim of this tutorial is to give insight into…
In this work, we present a new computational approach to characterize and classify molecular packing in the solid states. The key idea is to project each neighboring molecule (or short contact) from the centered molecule into a unit sphere…
Smectic materials represent a unique state between fluids and solids, characterized by orientational and partial positional order, making them notoriously difficult to model, particularly in confining geometries. We propose a complex order…
For systems consisting of distinguishable particles, there exists an agreed upon notion of entanglement which is fundamentally based on the possibility of addressing individually each one of the constituent parties. Instead, the…