Related papers: The Divergence-Free Radiant Transform
This work presents a high-fidelity computational fluid dynamics (CFD) and data-driven modeling framework for assembly-level flow characterization in a four-loop pressurized water reactor (PWR). A full lower-plenum and core-inlet domain was…
We establish the theoretical foundations for embedding a correlated wave function in an environment formed by Kohn-Sham orbitals. We show that introducing an approximation which equates two, in principle distinct, kinetic-energy functionals…
We study the problem of constructing a graph Fourier transform (GFT) for directed graphs (digraphs), which decomposes graph signals into different modes of variation with respect to the underlying network. Accordingly, to capture low,…
It has long been postulated that within density-functional theory (DFT) the total energy of a finite electronic system is convex with respect to electron count, so that 2 E_v[N_0] <= E_v[N_0 - 1] + E_v[N_0 + 1]. Using the…
We discuss efficient algorithms for the accurate forward and reverse evaluation of the discrete Fourier-Bessel transform (dFBT) as numerical tools to assist in the 2D polar convolution of two radially symmetric functions, relevant, e.g., to…
We develop the basic building blocks of a frequency domain framework for drawing statistical inferences on the second-order structure of a stationary sequence of functional data. The key element in such a context is the spectral density…
Density functional theory (DFT) is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, etc. In this paper, we suggest a method for obtaining the equilibrium…
The frequency-dependent optical spectrum is pivotal for a broad range of applications, from material characterization to optoelectronics and energy harvesting. Data-driven surrogate models, trained on density functional theory (DFT) data,…
We consider finite approximations of a fractal generated by an iterated function system of affine transformations on $\mathbb{R}^d$ as a discrete set of data points. Considering a signal supported on this finite approximation, we propose a…
Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and thermodynamic properties, such as angle-resolved photoemission…
In this paper, we present a fast divergence-free spectral algorithm (FDSA) for the curl-curl problem. Divergence-free bases in two and three dimensions are constructed by using the generalized Jacobi polynomials. An accurate spectral method…
The symplectic wavelet transformation [Opt. Lett. 31 (2006) 3432], which is related to quantum optical Fresnel transform, is developed to the symplectic-dilation mixed wavelet transform (SDWT). The SDWT involves both a real-variable…
We propose a decoupled divergence-free neural networks basis (Decoupled-DFNN) method for solving incompressible flow problems, including the Stokes and Navier-Stokes equations. To ensure the divergence free property exactly, the velocity…
How could the Fourier and other transforms be naturally discovered if one didn't know how to postulate them? In the case of the Discrete Fourier Transform (DFT), we show how it arises naturally out of analysis of circulant matrices. In…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
This paper presents a point-wise divergence-free projection method for numerical approximations of photonic quasicrystals problems. The original three-dimensional quasiperiodic Maxwell's system is transformed into a periodic one in higher…
Fully Developed Turbulence (FDT) is a theoretical asymptotic phenomenon which can only be approximated experimentally or computationally, so its defining characteristics are hypothetical. It is considered to be a chaotic stationary flow…
The recent history of optical design saw a progressive trend of also designing without rotational symmetry, especially spectrometers due to the use of reflective and diffractive elements in their designs. A freeform hyperspectral imager…
In medical imaging, the diffusion models have shown great potential for synthetic image generation tasks. However, these approaches often lack the interpretable connections between the generated and real images and can create anatomically…
The design of better exchange-correlation functionals for Density Functional Theory (DFT) is a central challenge of modern electronic structure theory. However, current developments are limited by the mathematical form of the functional,…