Related papers: A numerical method to efficiently calculate the tr…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
We present a theoretical framework for the calculation of charge transport through nanowire-based Schottky-barrier field-effect transistors that is conceptually simple but still captures the relevant physical mechanisms of the transport…
The non-equilibrium Green's function (NEGF) method with B\"uttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with molecular dynamics (MD) simulations. For simplicity, the…
Transport properties of the multicomponent quantum many-body systems obeying Haldane's fractional exclusion statistics are studied in one dimension. By computing the finite-size spectrum under twisted boundary conditions, we explicitly…
Nanoscale electronic transport is of intense technological interest, with applications ranging from semiconducting devices and molecular junctions to charge migration in biological systems. Most explicit theoretical approaches treat…
We propose a gate-based quantum algorithm for the prediction step of Bayesian state estimation based on the Fokker-Planck equation on a discretized position-velocity state space. The probability density is encoded in the amplitudes of a…
An easy to implement and powerful method for the solution of 3D scattering problems that can be well described by Helmholtz equation is presented. The matrix algebra used provides excellent stability versus the number of junctions as well…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
In this paper, we consider nonlinear diffusion processes driven by space-time white noises, which have an interpretation in terms of partial differential equations. For a specific choice of coefficients, they correspond to the Landau…
We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the…
We present a phase space description of the process of quantum teleportation for a system with an $N$ dimensional space of states. For this purpose we define a discrete Wigner function which is a minor variation of previously existing ones.…
We present a numerical method to solve the optimal transport problem with a quadratic cost when the source and target measures are periodic probability densities. This method is based on a numerical resolution of the corresponding…
We report findings from several ab-initio, self-consistent calculations of electronic and transport properties of wurtzite aluminum nitride. Our calculations utilized a local density approximation (LDA) potential and the linear combination…
Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…
We consider the conductivity tensor for composite fermions in a close to half-filled Landau band in the temperature regime where the scattering off the potential and the trapped gauge field of random impurities dominates. The Boltzmann…
In this paper we present a framework for fast quantum conductance calculations of carbon nanotube-based sensing devices targeting aromatic amino acids within a tight binding approximation. The method begins by a novel parameterization…
The theory of Bloch electron dynamics for carriers in homogeneous electric and magnetic fields of arbitrary time dependence is developed in the framework of the Liouville equation. The Wigner distribution function (WDF) is determined from…
In this paper an approach for decreasing the computational effort required for the split-step Fourier method (SSFM) is introduced. It is shown that using the sparsity property of the simulated signals, the compressive sampling algorithm can…
This article introduces a new notion of optimal transport (OT) between tensor fields, which are measures whose values are positive semidefinite (PSD) matrices. This "quantum" formulation of OT (Q-OT) corresponds to a relaxed version of the…
A semi-Lagrangian Characteristic Mapping method for the solution of the tracer transport equations on the sphere is presented. The method solves for the solution operator of the equations by approximating the inverse of the diffeomorphism…