Related papers: An efficient model algorithm for two-dimensional f…

Multiscale finite element methods for 2D/1D problems have been studied in this work to demonstrate their excellent ability to solve real-world problems. These methods are much more efficient than conventional 3D finite element methods and…

We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…

We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…

Considering the increasing number of experimental results in the manufacturing process of quantum dots with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with non-trivial…

Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale nature poses significant modeling challenges. Conventional…

We show how to efficiently exploit decoherence free subspaces (DFSs), which are immune to collective noise, for realizing quantum repeaters with long lived quantum memories. Our setup consists of an assembly of simple modules and we show…

We study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accurate ab initio molecular dynamics simulations with…

Charge-coupled device (CCD), along with the complementary metal-oxide-semiconductor (CMOS), is one of the major imaging technologies. Traditional CCDs rely on the charge transfer between potential wells, which gives them advantages of…

In this work, we demonstrate a dual-gated (DG) MoS2 field effect transistors (FETs) in which the degraded switching performance of multilayer MoS2 can be compensated by the DG structure. It produces large current density (>100 {\mu}A/{\mu}m…

In this paper, we derive optimal L2- and H1-norm error estimates for a fully discrete convex-splitting decoupled finite element method (FEM) for the two-phase diffuse interface magnetohydrodynamics (MHD) system. We use the semi-implicit…

In this work, we introduce CHIPS-FF (Computational High-Performance Infrastructure for Predictive Simulation-based Force Fields), a universal, open-source benchmarking platform for machine learning force fields (MLFFs). This platform…

We present a $\Delta$-machine learning model for obtaining Kohn-Sham accuracy from orbital-free density functional theory (DFT) calculations. In particular, we employ a machine learned force field (MLFF) scheme based on the kernel method to…

We have measured the conductivity of high-mobility (001) Si metal-oxide-semiconductor field effect transistors (MOSFETs) over wide ranges of electron densities n=(1.8-15)x10^11cm^2, temperatures T=30mK-4.2K, and in-plane magnetic fields…

Recently, we proposed a novel transistor architecture for 3D stacked FETs called Flip FET (FFET), featuring N/P transistors back-to-back stacked and dual-sided interconnects. With dual-sided power rails and signal tracks, FFET can achieve…

In this article we consider the widely used immersed finite element method (IFEM), in both explicit and implicit form, and its relationship to our more recent one-field fictitious domain method (FDM). We review and extend the formulation of…

We study the Fermi level structure of (2+1)-dimensional strongly interacting electron systems in external magnetic field using the AdS/CFT correspondence. The gravity dual of a finite density fermion system is a Dirac field in the…

We present quantitative means for assessing the numerical accuracy of static magnetic field calculations in finite-element models. Our calculations use the three-dimensional Opera simulation software suite of Dassault Syst`emes. Our need to…

A small-signal equivalent circuit of 2D-material based field-effect transistors is presented. Charge conservation and non-reciprocal capacitances have been assumed so the model can be used to make reliable predictions at both device and…

Long-range moire patterns in twisted WSe2 enable a built-in, moire-length-scale ferroelectric polarization that can be directly harnessed in electronic devices. Such a built-in ferroic landscape offers a compelling means to enable…

Atomically thin semiconductors have versatile future applications in the information and communication technologies for the ultimate miniaturization of electronic components. In particular, the ongoing research demands not only a…