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Bootstrap embedding (BE) is a recently developed electronic structure method that has shown great success at treating electron correlation in molecules. Here, we extend BE to treat surfaces and solids where the wave function is represented…

Strongly Correlated Electrons · Physics 2023-01-18 Oinam Romesh Meitei , Troy Van Voorhis

Continuous-wave electrically detected magnetic resonance (cw-EDMR or just EDMR) and its variants are powerful tools to investigate spin-dependent processes in materials and devices. The use of quadrature detection improves the quality and…

Observability is a modelling property that describes the possibility of inferring the internal state of a system from observations of its output. A related property, structural identifiability, refers to the theoretical possibility of…

Quantitative Methods · Quantitative Biology 2018-12-12 Alejandro F. Villaverde

We investigate numerically a quasi-static elasticity system of Kachanov-type. To do so we propose an Euler time discretization combined with a suitable finite elements scheme (FEM) to handle the discretization is space. We use ODE-type…

Numerical Analysis · Mathematics 2022-02-15 Simon Grützner , Adrian Muntean

We present new efficient (O(N log N)) methods for computing three quantities crucial to electronic structure calculations: the ionic potential, the electron-ion contribution to the Born-Oppenheimer forces, and the electron-ion contribution…

Materials Science · Physics 2009-11-07 Nicholas Choly , Efthimios Kaxiras

Electrical Impedance Tomography can be cost-effective, portable, non-invasive imaging technique. It has preclinical and a few of them already proven industrial applications. This technique can only recover images of low spatial and contrast…

Instrumentation and Detectors · Physics 2023-04-17 Vaishali Sharma , Mayank Goswami

A nonlinear Helmholtz equation (NLH) with high wave number and Sommerfeld radiation condition is approximated by the perfectly matched layer (PML) technique and then discretized by the linear finite element method (FEM).…

Numerical Analysis · Mathematics 2022-07-12 Run Jiang , Yonglin Li , Haijun Wu , Jun Zou

Using modifications of Lindeberg's interpolation technique, I propose a new identification-robust test for the structural parameter in a heteroskedastic instrumental variables model. While my analysis allows the number of instruments to be…

Econometrics · Economics 2024-12-17 Manu Navjeevan

Multi-principal element materials (MPEMs) have been attracting a rapidly growing interest due to their exceptional performance under extreme conditions, from cryogenic conditions to extreme-high temperatures and pressures. Despite the…

Materials Science · Physics 2022-11-28 Okan K. Orhan , Mewael Isiet , Mauricio Ponga , David D. O'Regan

Basic multimode impedance analysis grounded in the availability of nonequilibrium charge carriers and their retarded path towards equilibrium is used to access the inadequacy of equivalent circuits in nonlinear systems with inherent memory.…

A theoretical platform is developed for active elastic-wave sensing of (stationary and advancing) fractures along bi-material interfaces in layered composites. Damaged contact surfaces are characterized by a heterogeneous distribution of…

Numerical Analysis · Mathematics 2018-01-17 Fatemeh Pourahmadian , Irene de Teresa

Electrical impedance tomography is an imaging modality for extracting information on the interior structure of a physical body from boundary measurements of current and voltage. This work studies a new robust way of modeling the contact…

Numerical Analysis · Mathematics 2022-07-06 J. Dardé , N. Hyvönen , T. Kuutela , T. Valkonen

Next-generation neutrino oscillation experiments such as DUNE require percent-level knowledge of neutrino--nucleon interaction cross sections. The nucleon axial form factor $F_A(Q^2)$, parameterized by the axial mass $\MA$, is the dominant…

High Energy Physics - Phenomenology · Physics 2026-03-03 Guang Yang , Praveen Kumar

Effective application of mathematical models to interpret biological data and make accurate predictions often requires that model parameters are identifiable. Approaches to assess the so-called structural identifiability of models are…

Quantitative Methods · Quantitative Biology 2024-02-28 Alexander P Browning , Maria Tască , Carles Falcó , Ruth E Baker

An old problem in multivariate statistics is that linear Gaussian models are often unidentifiable, i.e. some parameters cannot be uniquely estimated. In factor (component) analysis, an orthogonal rotation of the factors is unidentifiable,…

Machine Learning · Statistics 2023-05-04 Aapo Hyvärinen , Ilyes Khemakhem , Ricardo Monti

Electromagnetic forming and perforations (EMFP) are complex and innovative high strain rate processes that involve electromagnetic-mechanical interactions for simultaneous metal forming and perforations. Instead of spending costly resources…

Numerical Analysis · Mathematics 2024-12-16 Avinash Chetry , Arup Nandy

Structural Health Monitoring (SHM) evaluates the integrity of a structure by observing its dynamic responses by an array of sensors over time to determine the current health state of the structure. The most important step of SHM is system…

Signal Processing · Electrical Eng. & Systems 2023-09-06 M. R. Davoodi , S. A. Mostafavian , S. R. Nabavian , GH. R. Jahangiri

Applying proper orthogonal decomposition to a usual finite element (FE) formulation for space fractional partial differential equation, we get a reduced FE model, which greatly reduces the complexity of computation. Then, the stability…

Numerical Analysis · Mathematics 2019-01-04 Jing Sun , Daxin Nie , Weihua Deng

In this paper have written the results of the information analysis of structures. The obtained information estimation (IE) are based on an entropy measure of C. Shannon. Obtained IE is univalent both for the non-isomorphic and for the…

Information Theory · Computer Science 2007-07-16 Alexander Shaydurov

A Single Ensemble Empirical Mode Decomposition (SEEMD) is proposed for locating the damage in rolling element bearings. The SEEMD does not require a number of ensembles from the addition or subtraction of noise every time while processing…

Signal Processing · Electrical Eng. & Systems 2025-02-13 Yaakoub Berrouche , Govind Vashishtha , Sumika Chauhan , Radoslaw Zimroz