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With the path integral approach, the thermal average in a multi-electronic-state quantum systems can be approximated by the ring polymer representation on an extended configuration space, where the additional degrees of freedom are…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
Recent state-of-the-art methods in imbalanced semi-supervised learning (SSL) rely on confidence-based pseudo-labeling with consistency regularization. To obtain high-quality pseudo-labels, a high confidence threshold is typically adopted.…
We study here the nonlinear Schrodinger Equation (NLS) as the first term in a sequence of approximations for an electromagnetic (EM) wave propagating according to the nonlinear Maxwell equations (NLM). The dielectric medium is assumed to be…
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed i-DMFT method promises near configuration-interaction…
The Integrated Nested Laplace Approximation (INLA) has established itself as a widely used method for approximate inference on Bayesian hierarchical models which can be represented as a latent Gaussian model (LGM). INLA is based on…
Nematicity is ubiquitous in electronic phases of high transition temperature superconductors, particularly in iron-based superconductors (IBSCs). Order parameter that characterizes the nematic phase has been investigated in momentum space,…
The study of nonequilibrium phenomena in correlated lattice systems has developed into an active and exciting branch of condensed matter physics. This research field provides rich new insights that could not be obtained from the study of…
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…
We consider the problem in Electrical Impedance Tomography (EIT) of identifying one or multiple inclusions in a background-conducting body $\Omega\subset\mathbb{R}^2$, from the knowledge of a finite number of electrostatic measurements…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
The state-of-the art proof of a global inf-sup condition on mixed finite element schemes does not allow for an analysis of truly indefinite, second-order linear elliptic PDEs. This paper, therefore, first analyses a nonconforming finite…
Electronic nematic phases have been proposed to occur in various correlated electron systems and were recently claimed to have been detected in scanning tunneling microscopy (STM) conductance maps of the pseudogap states of the cuprate…
Nonparametric empirical Bayes methods provide a flexible and attractive approach to high-dimensional data analysis. One particularly elegant empirical Bayes methodology, involving the Kiefer-Wolfowitz nonparametric maximum likelihood…
Motivated by the experiment by M. Budden {\em et al.} [Nature Physics {\bf 17}, 611 (2021)], who observed signatures of long-lived photo-induced superconductivity, we develop an accurate analytical/computational approach to non-equilibrium…
Accurate EV power estimation underpins range prediction and energy management, yet practitioners need both point accuracy and trustworthy uncertainty. We propose an anchored-ensemble Long Short-Term Memory (LSTM) with a Student-t likelihood…
A method is reported for a simple, yet reliable, calculation of electron inelastic mean free paths in condensed phase insulating and conducting materials, from the very low energies of hot electrons up to the high energies characteristic of…
Eigenvalue-preserving-but-not-completely-eigenvalue-preserving (EnCE) maps were previously introduced for the purpose of detection and quantification of nonclassical correlation, employing the paradigm where nonvanishing quantum discord…
High-precision frequency estimation is an ubiquitous issue in fundamental physics and a critical task in spectroscopy. Here, we propose a quantum Ramsey interferometry to realize high-precision frequency estimation in spin-1 Bose-Einstein…