Related papers: Accelerating $GW$-Based Energy Level Alignment Cal…
Extracting polarimetric information from very long baseline interferometry (VLBI) data is demanding but vital for understanding the synchrotron radiation process and the magnetic fields of celestial objects, such as active galactic nuclei…
We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…
Motor-Imagery Brain--Machine Interfaces (MI-BMIs)promise direct and accessible communication between human brains and machines by analyzing brain activities recorded with Electroencephalography (EEG). Latency, reliability, and privacy…
The intrinsic alignment (IA) of galaxies has been shown to be a significant barrier to precision cosmic shear measurements. (Zhang, 2010, ApJ, 720, 1090) proposed a self-calibration technique for the power spectrum to calculate the induced…
Implicit time integration is key to robustly simulating stiff materials and large deformations, but its performance is often dominated by repeatedly solving large linear systems. Adaptive coarsening can reduce this cost by concentrating…
A new higher-order accurate method is proposed that combines the advantages of the classical $p$-version of the FEM on body-fitted meshes with embedded domain methods. A background mesh composed by higher-order Lagrange elements is used.…
We propose an efficient analytical representation of the frequency-dependent $GW$ self-energy $\Sigma$ via a multipole approximation (MPA-$\Sigma$). The multipole-Pad\'e model for the self-energy is interpolated from a small set of…
The Gromov-Wasserstein (GW) distance quantifies discrepancy between metric measure spaces and provides a natural framework for aligning heterogeneous datasets. Alas, as exact computation of GW alignment is NP hard, entropic regularization…
Excited-state calculations, notably for quasiparticle band structures, are nowadays routinely performed within the GW approximation for the electronic self-energy. Nevertheless, certain numerical approximations and simplifications are still…
Algebraic multigrid (AMG) methods are powerful solvers with linear or near-linear computational complexity for certain classes of linear systems, Ax=b. Broadening the scope of problems that AMG can effectively solve requires the development…
This paper proposes a weak Galerkin (WG) finite element method for elliptic interface problems defined on nonconvex polygonal partitions. The method features a built-in stabilizer and retains a simple, symmetric, and positive definite…
In this study an automated software model using digital image processing techniques is proposed for extracting the image characteristics and contiguity of liquid phase sintered tungsten heavy alloys. The developed model takes a typical…
Scanning Transmission Electron Microscopy (STEM) enables the observation of atomic arrangements at sub-angstrom resolution, allowing for atomically resolved analysis of the physical and chemical properties of materials. However, due to the…
Polarization images provide rich physical information that is fundamentally absent from standard RGB images, benefiting a wide range of computer vision applications such as reflection separation and material classification. However, the…
In this paper, we propose a multiscale empirical interpolation method for solving nonlinear multiscale partial differential equations. The proposed method combines empirical interpolation techniques and local multiscale methods, such as the…
Precise characterization of the graphene/water interface has been hindered by experimental inconsistencies and limited molecular-level access to interfacial structures. In this work, we present a novel integrated computational approach that…
This article presents a new and efficient alternative to well established algorithms for molecular geometry optimization. The new approach exploits the approximate decoupling of molecular energetics in a curvilinear internal coordinate…
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…
Lensless in-line holography is a simple, portable, and cost-effective method of imaging especially for the biomedical microscopy applications. We propose a multiplicative gradient descent optimization based method to obtain multi-depth…
Modal phase matching (MPM) is a widely used phase matching technique in Al$_x$Ga$_{1-x}$As and other $\chi^{(2)}$ nonlinear waveguides for efficient wavelength conversions. The use of a non-fundamental spatial mode compensates the material…