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We implement the Rayleigh-Ritz method in supersymmetric quantum mechanics with flat directions, and extract the S-matrix and metastable resonances. The effectiveness of the method is demonstrated in two strongly coupled systems: an N=1 toy…
The present paper reviews recent achievements on the ab initio determination of effective model Hamiltonians aimed at the description of strongly correlated materials. These models (Heisenberg, $t-J$, extended Hubbard, Kondo, etc) are…
We developed a highly hydrogen-sensitive thermal desorption spectroscopy (HHS-TDS) system to detect and quantitatively analyze low hydrogen concentrations in thin films. The system was connected to an in situ sample-transfer chamber system,…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
We introduce a method for a combined calculation of charge and vector spin transport of elastically tunneling electrons in magnetic scanning tunneling microscopy (STM). The method is based on the three-dimensional Wentzel-Kramers-Brillouin…
Computational studies of electrochemical interfaces based on density-functional theory (DFT) play an increasingly important role in present research on electrochemical processes for energy conversion and storage. The homogeneous background…
We report the results of magnetotransport experiments carried out on low-disorder 2D hole gases (2DHG) in the strongly correlated liquid regime, hosted in dopant-free (100) GaAs/AlGaAs single heterojunctions. Over a wide range of 2DHG…
In this paper, we focus on multi-scale modeling and simulation of piezoelectric composite materials. A multi-scale model for piezoelectric composite materials under the framework of Heterogeneous Multi-scale Method(HMM) is proposed. For…
We explore a class of splitting schemes employing implicit-explicit (IMEX) time-stepping to achieve accurate and energy-stable solutions for thin-film equations and Cahn-Hilliard models with variable mobility. This splitting method…
Crossed magnetic field effects on bulk high-temperature superconductors have been studied both experimentally and numerically. The sample geometry investigated involves finite-size effects along both (crossed) magnetic field directions. The…
High-Resolution Electron Backscatter Diffraction (HR-EBSD) has advanced rapidly in recent years, significantly improving elastic strain measurements and dislocation density evaluation with submicron spatial resolution. To achieve better…
The pathway toward the tailored synthesis of materials starts with precise characterization of the conformational properties and dynamics of individual molecules. Electron spin resonance based scanning tunneling microscopy can potentially…
The least-squares tensor hypercontraction (LS-THC) approach is a promising method of reducing the high polynomial scaling of wavefunction methods, for example those based on many-body perturbation theory or coupled cluster. Here, we focus…
The paper deals with optimization of the acoustic band gaps computed using the homogenized model of strongly heterogeneous elastic composite which is constituted by soft inclusions periodically distributed in stiff elastic matrix. We employ…
We describe a rapidly converging algorithm for solving the Kohn--Sham equations and equations of similar structure that appear frequently in calculations of the structure of inhomogeneous electronic many--body systems. The algorithm has its…
We explore the equilibrium properties of a two-dimensional Ising spin model with short-range exchange and long-range dipolar interactions as a function of the applied magnetic field H. The model is studied through extensive Monte Carlo…
As inverter-based resources (IBRs) penetrate power systems, the dynamics become more complex, exhibiting multiple timescales, including electromagnetic transient (EMT) dynamics of power electronic controllers and electromechanical dynamics…
The computational homogenization of hyperelastic solids in the geometrically nonlinear context has yet to be treated with sufficient efficiency in order to allow for real-world applications in true multiscale settings. This problem is…
The 1T polytype of TaS$_\textrm{2}$ has been studied extensively as a strongly correlated system. As 1T-TaS$_\textrm{2}$ is thinned towards the 2D limit, its phase diagram shows significant deviations from that of the bulk material.…
The goal of this paper is to develop a reliable analytical approach to finding the effective elastic-plastic response of metal matrix composites (MMC) and porous metals (PM) with a predefined particle or void distribution, as well as to…