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We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$…
The energy estimation procedures employed by different groups, for determining the energy of the primary $\gamma$-ray using a single atmospheric Cherenkov imaging telescope, include methods like polynomial fitting in SIZE and DISTANCE,…
We present a new algorithm for numerical computation of large eigenvalues and associated eigenfunctions of the Dirichlet Laplacian in a smooth, star-shaped domain in $\mathbb{R}^d$, $d\ge 2$. Conventional boundary-based methods require a…
This paper presents a novel Riemannian conjugate gradient method for the Kohn-Sham energy minimization problem in density functional theory (DFT), with a focus on non-metallic crystal systems. We introduce an energy-adaptive metric that…
The multi-band Gutzwiller method, combined with calculations based on density functional theory, is employed to study total energy curves of the ferromagnetic ground state of Ni. A new method is presented which allows flow of charge between…
This paper studies the numerical approximation of solution of the Dirichlet problem for the fully nonlinear Monge-Ampere equation. In this approach, we take the advantage of reformulation the Monge-Ampere problem as an optimization problem,…
We propose a novel efficient algorithm to solve Poisson equation in irregular two dimensional domains for electrostatics. It can handle Dirichlet, Neumann or mixed boundary problems in which the filling media can be homogeneous or…
A general procedure is presented how to improve the effective potential by using the renormalization group equation (RGE) in MS bar scheme. If one knows the L-loop effective potential and the RGE coefficient functions up to (L+1)-loop…
Purpose: Although recent deep energy-based generative models (EBMs) have shown encouraging results in many image generation tasks, how to take advantage of the self-adversarial cogitation in deep EBMs to boost the performance of Magnetic…
A new class of renormalizable gauges is introduced that is particularly well suited to compute effective potentials in spontaneously broken gauge theories. It allows one to keep free gauge parameters when computing the effective potential…
We study the Dirichlet-to-Neumann map for the stationary linear equation of elasticity in a bounded domain in R d , d $\ge$ 2, with smooth boundary. We show that it can be approximated by a pseudodifferential operator on the boundary with a…
Extending the work of Park and Strominger, we prove a positive energy theorem for the exactly solvable quantum-corrected 2D dilaton gravity theories. The positive energy functional we construct is shown to be unique (within a reasonably…
Practical applications of thermoacoustic tomography require numerical inversion of the spherical mean Radon transform with the centers of integration spheres occupying an open surface. Solution of this problem is needed (both in 2-D and…
For $D$ a bounded domain in $\mathbb R^d, d \ge 2,$ with smooth boundary $\partial D$, the non-linear inverse problem of recovering the unknown conductivity $\gamma$ determining solutions $u=u_{\gamma, f}$ of the partial differential…
A new method (NM) for filtering three-dimensional reconstructed densities is proposed. The algorithm is tested with simulated spectra and employed to study the electronic structure of the rare-earth compound LaB6. For this system, momentum…
Dielectric tensor tomography (DTT) enables the reconstruction of three-dimensional (3D) dielectric tensors, which provides a physical measure of 3D optical anisotropy. Herein, we present a cost-effective and robust method for DTT…
In this paper we consider the inverse problem of determining on a compact Riemannian manifold the metric tensor in the wave equation with Dirichlet data from measured Neumann boundary observations. This information is enclosed in the…
We propose a novel pipeline for the generation of synthetic ultrasound images via Denoising Diffusion Probabilistic Models (DDPMs) guided by cardiac semantic label maps. We show that these synthetic images can serve as a viable substitute…
In this work, we propose efficient and accurate numerical algorithms based on Difference Potentials Method for numerical solution of chemotaxis systems and related models in 3D. The developed algorithms handle 3D irregular geometry with the…
A high-frequency asymptotics of the symbol of the Dirichlet-to-Neumann map, treated as a periodic pseudodifferential operator, in 2D diffraction problems is discussed. Numerical results support a conjecture on a universal limit shape of the…