Related papers: A Topological Data Analysis Perspective on Non-Cov…
Many decays of light baryons consisting of light $u,d,s$ quarks have been measured, and these measurements will help us to understand the decay properties of light baryons. In this work, we study two-body nonleptonic weak decays of light…
A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…
The study of topology is strictly speaking, a topic in pure mathematics. However in only a few years, Topological Data Analysis (TDA), which refers to methods of utilizing topological features in data (such as connected components, tunnels,…
The Tamm-Dancoff Approximation (TDA) offers a computationally efficient alternative to full linear-response Time-Dependent Density Functional Theory (TDDFT) for calculating electronic excited states, particularly in large molecular systems.…
Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such…
Topological Data Analysis (TDA) is a rising field of computational topology in which the topological structure of a data set can be observed by persistent homology. By considering a sequence of sublevel sets, one obtains a filtration that…
In a novel application of the tools of topological data analysis (TDA) to nonperturbative quantum gravity, we introduce a new class of observables that allows us to assess whether quantum spacetime really resembles a ``quantum foam" near…
A novel strategy for extracting axial (AV) and toroidal (TV) vortices in the magnetically-induced current density (MICD) in molecular systems is introduced, and its pilot application to LiH molecule is demonstrated. It exploits differences…
Over the last two decades, topological data analysis (TDA) has emerged as a very powerful data analytic approach which can deal with various data modalities of varying complexities. One of the most commonly used tools in TDA is persistent…
Topological Data Analysis (TDA) refers to an approach that uses concepts from algebraic topology to study the "shapes" of datasets. The main focus of this paper is persistent homology, a ubiquitous tool in TDA. Basing our study on this, we…
The "chemical bond" is a central concept in molecular sciences, but there is no consensus as to what a bond actually is. Therefore, a variety of bonding models have been developed, each defining the structure of molecules in a different…
We extend the recently proposed thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] to generalized-gradient approximation (GGA) exchange-correlation density functionals. Relative…
The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…
Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…
Topological data analysis (TDA) is a rising branch in modern applied mathematics. It extracts topological structures as features of a given space and uses these features to analyze digital data. Persistent homology, one of the central tools…
Topological Data Analysis (TDA) is a novel new and fast growing field of data science providing a set of new topological and geometric tools to derive relevant features out of complex high-dimensional data. In this paper we apply two of…
Topological Data Analysis (TDA) provides powerful tools to explore the shape and structure of data through topological features such as clusters, loops, and voids. Persistence diagrams are a cornerstone of TDA, capturing the evolution of…
We present the application of topological data analysis (TDA) to study unweighted complex networks via their persistent homology. By endowing appropriate weights that capture the inherent topological characteristics of such a network, we…
Advances in imaging techniques enable high resolution 3D visualisation of vascular networks over time and reveal abnormal structural features such as twists and loops, and their quantification is an active area of research. Here we showcase…
In this paper we develop a novel Topological Data Analysis (TDA) approach for studying graph representations of time series of dynamical systems. Specifically, we show how persistent homology, a tool from TDA, can be used to yield a…