Related papers: HARES: an efficient method for first-principles el…
A novel concept for electroluminescence (EL) structures was recently proposed. In it, a wavelength-shifting material is deposited inside the holes of GEM-like structures which, after suitable optical treatment of its electrodes, improves…
Reconfigurable Intelligent Surfaces (RISs) have emerged as a promising technology for next-generation wireless communications, offering energy-efficient control of electromagnetic (EM) waves. While conventional RIS models based on phase…
In electronic structure calculations, various material properties can be obtained by means of computing the total energy of a system as well as derivatives of the total energy w.r.t. atomic positions. The derivatives, also known as…
The Poisson-Nernst-Planck (PNP) equations are one of the most effective model for describing electrostatic interactions and diffusion processes in ion solution systems, and have been widely used in the numerical simulations of biological…
Hardware-aware Neural Architecture Search (HW-NAS) is a technique used to automatically design the architecture of a neural network for a specific task and target hardware. However, evaluating the performance of candidate architectures is a…
HfS is a tool to fit the hyperfine structure of spectral lines, with multiple velocity components. The HfS_nh3 procedures included in HfS fit simultaneously the hyperfine structure of the NH$_3$ (J,K)= (1,1) and (2,2) transitions, and…
This review discusses progress in efficient solvers which have as their foundation a representation in real space, either through finite-difference or finite-element formulations. The relationship of real-space approaches to linear-scaling…
In this paper, we present a finite element method (FEM) framework enhanced by an operator-adapted wavelet decomposition algorithm designed for the efficient analysis of multiscale electromagnetic problems. Usual adaptive FEM approaches,…
We present an approach to accelerate real-space electronic structure methods several fold, without loss of accuracy, by reducing the dimension of the discrete eigenproblem that must be solved. To accomplish this, we construct an efficient,…
Structure prediction has become a key task of the modern atomistic sciences, and depends on the rapid and reliable computation of the energy landscape. First principles density functional based calculations are highly reliable, faithfully…
The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…
The main features of the electron structure function method for calculations of the higher order QED radiative effects to polarized deep-inelastic ep-scattering are presented. A new FORTRAN code ESFRAD based on this method was developed. A…
Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work,…
Two novel methods, including the scanning envelope synthesis (SES) method and the active reflection self-cancellation (ARC) method, are proposed to design wide-angle scanning heterogeneous element phased arrays. Heterogeneous strategy is…
Efficient hyperparameter or architecture search methods have shown remarkable results, but each of them is only applicable to searching for either hyperparameters (HPs) or architectures. In this work, we propose a unified pipeline, AutoHAS,…
Efficient, accurate and low-cost estimation of human skeletal information is crucial for a range of applications such as biology education and human-computer interaction. However, current simple skeleton models, which are typically based on…
Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…
In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…
Recently, several approaches successfully demonstrated that weight-sharing Neural Architecture Search (NAS) can effectively explore a search space of elastic low-rank adapters (LoRA), allowing the parameter-efficient fine-tuning (PEFT) and…
In our work we focus on the accurate computation of light propagation in finite size photonic crystal structures with the finite element method (FEM). We discuss how we utilize numerical concepts like high-order finite elements, transparent…