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Constraints on the cosmic history of self-interacting Bose-Einstein condensed (SIBEC) dark matter (DM) are obtained using the cosmic microwave background (CMB), baryonic acoustic oscillations (BAO), growth factor measurements, and type Ia…
The fourth-order PDE that models the density variation of smectic A liquid crystals presents unique challenges in its (numerical) analysis beyond more common fourth-order operators, such as the classical biharmonic. While the operator is…
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…
In this study, approximate analytical solution of Schr\"odinger, Klein-Gordon and Dirac equations under the Tietz-Wei (TW) diatomic molecular potential are represented by using an approximation for the centrifugal term. We have applied…
Semi-local density functional approximations are widely used. None of them can capture the long-range van der Waals (vdW) attraction between separated subsystems, but they differ remarkably in the extent to which they capture…
Labeling Cadmium Zinc Telluride (CdZnTe) semiconductor images is challenging due to the low-contrast defect boundaries, necessitating annotators to cross-reference multiple views. These views share a single ground truth (GT), forming a…
We consider a certain fluid-structure interaction (FSI) system with a view of obtaining an alternative methodology for establishing its strongly continuous semigroup wellposedness. (Semigroup generation for this FSI was originally…
A novel numerical formulation for solving fluid-structure interaction (FSI) problems is proposed where the fluid field is spatially discretized using smoothed particle hydrodynamics (SPH) and the structural field using the finite element…
The precise incorporation of a phosphorus atom into a silicon surface is essential for the fabrication of nanoelectronic devices in which the active area is formed from single impurities. The most accurate approach employs scanning…
Adiabatic connection models (ACMs), which interpolate between the limits of weak and strong interaction, are powerful tools to build accurate exchange-correlation functionals. If the exact weak-interaction expansion from second-order…
The free space Maxwell dielectric problem can be reduced to a system of surface integral equations (SIE). A numerical formulation for the Maxwell dielectric problem using an SIE system presents two key advantages: first, the radiation…
Integrated sensing and communication (ISAC) through Zak-transform-based orthogonal time frequency space (Zak-OTFS) modulation is a promising solution for high-mobility scenarios. Realizing accurate bistatic sensing and robust communication…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
Diagrammatic perturbation theory is a powerful tool for the investigation of interacting many-body systems, the self-energy operator $\Sigma$ encoding all the variety of scattering processes. In the simplest scenario of correlated electrons…
Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…
We proposed a simple and efficient modular single-source surface integral equation (SS-SIE) formulation for electromagnetic analysis of arbitrarily connected penetrable and perfectly electrical conductor (PEC) objects in two-dimensional…
We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential…
We consider a Navier-Stokes fluid-plate interaction (FSI) system which describes the evolutions of the fluid contained within a 3D cavity, as it interacts with a deformable elastic membrane on the ``free" upper boundary of the cavity. These…
The SEparator for CApture Reactions (SECAR) is a next-generation recoil separator system at the Facility for Rare Isotope Beams (FRIB) designed for the direct measurement of capture reactions on unstable nuclei in inverse kinematics. To…
We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…