Related papers: A Topological Data Analysis Perspective on Non-Cov…
Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of materials with an electric dipole that can be switched by external electric fields. Spontaneous polarization is a crucial ferroelectric property,…
An exchange-correlation energy functional beyond the local density approximation, based on the exchange-correlation kernel of the homogeneous electron gas and originally introduced by Kohn and Sham, is considered for electronic structure…
The local density approximation (LDA) is the central technical tool in the modeling of quantum gases in trapping potentials. It consists in treating the gas as an assembly of independent mesoscopic fluid cells at equilibrium with a local…
We explore the evolution of daily returns of four major US stock market indices during the technology crash of 2000, and the financial crisis of 2007-2009. Our methodology is based on topological data analysis (TDA). We use persistence…
The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density $n$, leading…
Spatial relationships in multi-species data can indicate and affect system outcomes and behaviors, ranging from disease progression in cancer to coral reef resilience in ecology; therefore, quantifying these relationships is an important…
Analyzing flight trajectory data sets poses challenges due to the intricate interconnections among various factors and the high dimensionality of the data. Topological Data Analysis (TDA) is a way of analyzing big data sets focusing on the…
The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation…
The paper explores the interacting Tsallis holographic dark energy (THDE) model in a non-flat universe following an infrared cutoff as the apparent horizon. The equation of state (EoS) and the deceleration parameter of THDE model are…
Childhood maltreatment may adversely affect brain development and consequently influence behavioral, emotional, and psychological patterns during adulthood. In this study, we propose an analytical pipeline for modeling the altered…
We present a way to use Topological Data Analysis (TDA) for machine learning tasks on grayscale images. We apply persistent homology to generate a wide range of topological features using a point cloud obtained from an image, its natural…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
Recently, Tao and Mo (TM) proposed an accurate all-purpose nonempirical meta-generalized gradient approximation (meta-GGA). The exchange part was derived from the density matrix approximation, while the correlation part is based on a…
Topological Data Analysis (TDA) can be used to detect and characterize holes in an image, such as zero-dimensional holes (connected components) or one-dimensional holes (loops). However, there is currently no widely accepted statistical…
To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…
Topological defects are ubiquitous from solid state physics to cosmology, where they drive phase transitions by proliferating as domain walls, monopoles or vortices. As quantum excitations, they often display fractional charge and anyonic…
Persistent Homology is a powerful tool in Topological Data Analysis (TDA) to capture topological properties of data succinctly at different spatial resolutions. For graphical data, shape, and structure of the neighborhood of individual data…
Atomic and molecular data for the transitions of a number of astrophysically interesting species are summarized, including energy levels, statistical weights, Einstein A-coefficients and collisional rate coefficients. Available collisional…
Polyphenols are natural molecules of crucial importance in many applications, of which tannic acid (TA) is one of the most abundant and established. Most high-value applications require precise control of TA interactions with the system of…
Topological Data Analysis has grown in popularity in recent years as a way to apply tools from algebraic topology to large data sets. One of the main tools in topological data analysis is persistent homology. This paper uses undergraduate…