Related papers: NanoNET: an extendable Python framework for semi-e…

Confined ion transport is involved in nanoporous ionic systems. However, it is challenging to mechanistically predict its electrical characteristics for rational system design and performance evaluation using electrical circuit model due to…

Networks of silicon nanowires possess intriguing electronic properties surpassing the predictions based on quantum confinement of individual nanowires. Employing large-scale atomistic pseudopotential computations, as yet unexplored branched…

Nanowires have been considered for a number of applications in nanometrology. In such a context, we have explored the possibility of using ultrathin twisted nanowires as torsion nanobalances to probe forces and torques at molecular level…

Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…

We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…

As semiconductor technologies continue to scale down to the nanoscale, the efficient prediction of material properties becomes increasingly critical. The tight-binding (TB) method is a widely used semi-empirical approach that offers a…

Using an approach to open quantum systems based on the effective non-Hermitian Hamiltonian, we fully describe transport properties for a paradigmatic model of a coherent quantum transmitter: a finite sequence of square potential barriers.…

In the present work we propose that a one-dimensional quantum heterostructure composed of magnetic and non-magnetic atomic sites can be utilized as a spin filter for a wide range of applied bias voltage. A simple tight-binding framework is…

We develop a quantum mechanical theory to describe the optical response of semiconductor nanostructures with a particular emphasis on higher-order harmonic Generation. Based on a tight-binding approach we take all two-particle correlations…

By using the tight-binding model and non-equilibrium Green's function method (NEGF), we study the band structures and transport properties of a silicene nanoribbon with a line defect where a bulk energy gap is opened due to the sublattice…

We present an investigation in the device parameter space of band-to-band tunneling in nanowires with a diamond cubic or zincblende crystalline structure. Results are obtained from quantum transport simulations based on Non-Equilibrium…

We propose a system comprised of fixed-topology neural networks having partially frozen weights, named SemifreddoNets. SemifreddoNets work as fully-pipelined hardware blocks that are optimized to have an efficient hardware implementation.…

One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…

Non-Hermitian topological phases can produce some remarkable properties, compared with their Hermitian counterpart, such as the breakdown of conventional bulk-boundary correspondence and the non-Hermitian topological edge mode. Here, we…

Delicate snap-fit assemblies, such as inserting a lens into an eye-wear frame or during electronics assembly, demand timely engagement detection and rapid force attenuation to prevent overshoot-induced component damage or assembly failure.…

{\it Ab initio} computational methods for electronic transport in nanoscaled systems are an invaluable tool for the design of quantum devices. We have developed a flexible and efficient algorithm for evaluating $I$-$V$ characteristics of…

This study introduces the concept of finite element network analysis (FENA) which is a physics-informed, machine-learning-based, computational framework for the simulation of complex physical systems. The framework leverages the extreme…

Nonequilibrium quantum transport is of central importance in nanotechnology. Its description requires the understanding of strong electronic correlations, which couple atomic-scale phenomena to the nanoscale. So far, research in correlated…

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

Due to their ubiquitous and pervasive nature, Wi-Fi networks have the potential to collect large-scale, low-cost, and disaggregate data on multimodal transportation. In this study, we develop a semi-supervised deep residual network (ResNet)…