Related papers: Efficient wave function matching approach for quan…
The two-time Green function method in quantum electrodynamics of high-Z few-electron atoms is described in detail. This method provides a simple procedure for deriving formulas for the energy shift of a single level and for the energies and…
We describe a semi-empirical atomic basis Extended H\"uckel Theoretical (EHT) technique that can be used to calculate bulk bandstructure, surface density of states, electronic transmission and interfacial chemistry of various materials…
Equivalence checking of quantum circuits is a central verification task in quantum computing, ensuring the correctness of circuit optimizations, hardware mappings, and compilation pipelines. Among the primary symbolic methods for this…
Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms…
While quantum computers have shown significant promise for electronic structure calculations, their potential to accelerate density functional theory (DFT) calculations remains unclear. In this work, we present a qubit-efficient encoding…
Background: Windowed Fourier decompositions (WFD) are widely used in measuring stationary and non-stationary spectral phenomena and in describing pairwise relationships among multiple signals. Although a variety of WFDs see frequent…
Two-dimensional materials-based field-effect transistors (2DM-FETs) exhibit both ambipolar and unipolar transport types. To physically and compactly cover both cases, we put forward a quasi-Fermi-level phase space (QFLPS) approach to model…
Designing nanoscale electronic devices such as the currently manufactured nanoribbon field-effect transistors (NRFETs) requires advanced modeling tools capturing all relevant quantum mechanical effects. State-of-the-art approaches combine…
We present a comprehensive first-principles study of the ballistic transport properties of low dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotubes in presence of defects. A novel approach is introduced…
Waveguide quantum electrodynamics (wQED) with underlying collective and long-range atom-atom interactions has led to many distinct dynamical phenomena, including modified collective radiations and intriguing quantum correlations. It stands…
We derive a general expression for the electron nonequilibrium (NE) distribution function in the context of steady state quantum transport through a two-terminal nanodevice with interaction. The central idea for the use of NE distributions…
We introduce an efficient method to reconstruct the Wigner function of many-mode continuous variable systems. It is based on convex optimization with semidefinite programs, and also includes a version of the maximum entropy principle, in…
We have studied theoretically the Kondo effect in the quantum dot(QD) within the whole range of temperature by using the equation-of-motion(EOM) technique based on the non-equilibrium Green function formalism. We have taken the finiteness…
Transport and the approach to equilibrium in interacting classical and quantum systems is a challenging problem of both theoretical and experimental interest. One useful organizing principle characterizing equilibration is the dissipative…
We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a…
The Wigner-function formalism is a well known approach to model charge transport in semiconductor nanodevices. Primary goal of the present article is to point out and explain intrinsic limitations of the conventional quantum-device modeling…
Extended Huckel theory (EHT) along with NEGF (Non-equilibrium Green's function formalism) has been used for modeling coherent transport through molecules. Incorporating dephasing has been proposed to theoretically reproduce experimental…
With the maturation of quantum computing technology, research has gradually shifted towards exploring its applications. Alongside the rise of artificial intelligence, various machine learning methods have been developed into quantum…
A generic and intuitive model for coherent energy transport in multiple minima systems coupled to a quantum mechanical bath is shown. Using a simple spin-boson system, we illustrate how a generic donor-acceptor system can be brought into…
We consider the energy-efficiency of Multiple-Input Multiple-Output (MIMO) systems with constrained received power rather than constrained transmit power. A Energy-Efficient Water-Filling (EEWF) algorithm that maximizes the ratio of the…