Related papers: Electrostatics in semiconducting devices I : The P…
Ergotropy provides a fundamental measure of the extractable work from a quantum system and, consequently, of the maximal useful energy, or charge, stored within it. Understanding how this quantity can be manipulated and transformed…
We present a novel technique for sparse principal component analysis. This method, named Eigenvectors from Eigenvalues Sparse Principal Component Analysis (EESPCA), is based on the formula for computing squared eigenvector loadings of a…
We study the effects of electrostatic gating on the lateral distribution of charge carriers in two dimensional devices, in a non-linear dielectric environment. We compute the charge distribution using the Thomas-Fermi approximation to model…
Principal component analysis (PCA) is fundamental to statistical machine learning. It extracts latent principal factors that contribute to the most variation of the data. When data are stored across multiple machines, however, communication…
The toolbox for time-resolved direct measurements of electron dynamics covers a variety of methods. Since the experimental effort is increasing rapidly with achievable time resolution, there is an urge for simple and robust measurement…
We consider the problem of metastability for stochastic reversible dynamics with exponentially small transition probabilities. We generalize previous results in several directions. We give an estimate of the spectral gap of the transition…
The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA…
A kernel-based method (kernelized minimal distributed charge model - kMDCM) to represent the molecular electrostatic potential (ESP) in terms of off-center point charges whose positions adapts to the molecular geometry. Using Gaussian…
Modeling nanoscale devices quantum mechanically is a computationally challenging problem where new methods to solve the underlying equations are in a dire need. In this paper, we present an approach to calculate the charge density in…
Total energy electronic structure calculations, based on density functional theory or on the more empirical tight binding approach, are generally believed to scale as the cube of the number of electrons. By using the localisaton property of…
This review presents an overview of the thermal properties of mesoscopic structures. The discussion is based on the concept of electron energy distribution, and, in particular, on controlling and probing it. The temperature of an electron…
The complete characterisation of the charge transport in a mesoscopic device is provided by the Full Counting Statistics (FCS) $P_t(m)$, describing the amount of charge $Q = me$ transmitted during the time $t$. Although numerous systems…
New stochastic approaches for the computation of electronic excitations are developed within the many-body perturbation theory. Three approximations to the electronic self-energy are considered: $G_0W_0$, $G_0W_0^tc$, and…
We present an approach to electronic polarization in molecular solids treated as a set of quantum systems interacting classically. Individual molecules are dealt with rigorously as quantum-mechanical systems subject to classical external…
We consider a set of electrostatic problems relevant for determining the real-space structure and the ground-state energy of a two-dimensional electron liquid subject to smooth external potentials. Three fundamental geometries are…
In this work we investigate in detail, the different regimes of the pioneering work of Chklovskii et al. (1992), which provides an analytical description to model the electrostatics at the edges of a two-dimensional electron gas. We take…
In the design of electromagnetic devices the accurate representation of the geometry plays a crucial role in determining the device performance. For accelerator cavities, in particular, controlling the frequencies of the eigenmodes is…
Buckling at the micro and nanoscale generates distant bistable states which can be beneficial for sensing, shape-reconfiguration and mechanical computation applications. Although different approaches have been developed to access buckling…
Quantum-dot Cellular Automata (QCA) is one of the emerging nanotechnologies, promising alternative to CMOS technology due to faster speed, smaller size, lower power consumption, higher scale integration and higher switching frequency. Also,…
The traditional explicit electrostatic momentum-conserving Particle-in-cell algorithm requires strict resolution of the electron Debye length to deliver numerical accuracy. The explicit electrostatic energy-conserving Particle-in-Cell…