Related papers: An efficient model algorithm for two-dimensional f…
This manuscript presents the Quantum Finite Element Method (Q-FEM) developed for use in noisy intermediate-scale quantum (NISQ) computers and employs the variational quantum linear solver (VQLS) algorithm. The proposed method leverages the…
We study the temperature dependence of the electrical resistivity of interacting two-dimensional metallic systems. We perform a numerical simulation of the nonequilibrium state based on semiclassical Boltzmann transport theory. Through our…
In this article we present an algorithm to efficiently evaluate the exchange matrix in periodic systems when Gaussian basis set with pseudopotentials are used. The usual algorithm for evaluating exchange matrix scales cubically with the…
The dynamic structure factor (DSF) is a central quantity for interpreting a vast array of inelastic scattering experiments in chemistry and materials science, but its accurate simulation is a considerable challenge for classical…
We introduce the multivariate decomposition finite element method for elliptic PDEs with lognormal diffusion coefficient $a=\exp(Z)$ where $Z$ is a Gaussian random field defined by an infinite series expansion $Z(\boldsymbol{y}) =…
Vertical field effect transistors (VFETs) show many advantages such as high switching speed, low operating voltage, low power consumption, and miniaturization over lateral FETs. However, VFET still faces the main challenges of high…
Two-dimensional (2D) layered materials-based field-effect transistors (FETs) are promising for ultimate scaled electron device applications because of the improved electrostatics to atomically thin body thickness. However, compared with the…
Based on recent advancements in using machine learning for classical density functional theory for systems with one-dimensional, planar inhomogeneities, we propose a machine learning model for application in two dimensions (2D) akin to…
We use voxel deep neural networks to predict energy densities and functional derivatives of electron kinetic energies for the Thomas-Fermi model and Kohn-Sham density functional theory calculations. We show that the ground-state electron…
Ab initio computation of two-dimensional electronic spectra is an expanding field, whose goal is improving upon simple, few-dimensional models often employed to explain experiments. Here, we propose an accurate and computationally…
The rapid progress in the production and cooling of molecular gases indicates that experimental studies of quantum gases with a strong dipolar interaction is soon within reach. Dipolar gases are predicted to exhibit very rich physics…
Physics based numerical simulation has been carried out to probe the sub-gap density of states (DOS) and underlying electron transport properties of amorphous oxide based thin film transistors (TFTs). The DOS model of TFTs consists of…
The observation of coherent quantum transport phenomena in metals and semiconductors is limited by the eventual loss of phase coherence of the conducting electrons. We use the weak localization effect to measure the low-temperature…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
A new method of quantum state tomography for quantum information processing is described. The method based on two-dimensional Fourier transform technique involves detection of all the off-diagonal elements of the density matrix in a…
We examine the superfluid and collapse instabilities of a quasi two-dimensional gas of dipolar fermions aligned by an orientable external field. It is shown that the interplay between the anisotropy of the dipolar interaction, the geometry…
Knowledge of the underlying mechanisms of multiphase flow dynamics in porous media is crucial for optimizing subsurface engineering applications like geological carbon sequestration. However, studying the micro-mechanisms of multiphase…
Electric double layers (EDL) with counterions only, say electrons with the elementary charge $-e$, in thermal equilibrium at the inverse temperature $\beta$ are considered. In particular, we study the effect of the surface charge modulation…
We consider the possibility that the electrons injected into organic field-effect transistors are strongly correlated. A single layer of acenes can be modelled by a Hubbard Hamiltonian similar to that used for the kappa-(BEDT-TTF)(2)X…
The two-dimensional Hubbard model on the square lattice is studied in the presence of lattice distortions in the adiabatic approximation. The self energy is computed within perturbation theory up to second order, which provides a way for…