Related papers: An efficient method for computing the electronic t…
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…
We present a Green's function technique for studying the nonlinear conductance of a nanocontact system with two electrodes at different chemical potentials. The retarded Green's function for a single-impurity Anderson model with two…
The electronic properties of junctions defined electrostatically on twisted bilayer graphene can be addressed theoretically using lattice models. Recent works have introduced minimal local orbital models to describe twisted bilayer graphene…
We propose a technique of compensating the spurious reflections implied by the multiple-scattering (MS) method, commonly used for analyzing finite photonic crystal (PC) systems, to obtain exact values of characteristic parameters, such as…
{\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…
The numerical cost of variational methods suggests using perturbative approaches to determine the electronic structure of molecular systems. In this work, a sequential construction of effective Hamiltonians drives the definition of…
Graphene has proven to host outstanding mesoscopic effects involving massless Dirac quasiparticles travelling ballistically resulting in the current flow exhibiting light-like behaviour. A new branch of 2D electronics inspired by the…
We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements,…
We introduce a numerical tensor-network method to compute the statistics of the charge transferred across an interface partitioning an interacting one-dimensional many-body lattice system with $U(1)$ symmetry. Our approach is based on a…
We present a flexible method for computing Bayesian optimal experimental designs (BOEDs) for inverse problems with intractable posteriors. The approach is applicable to a wide range of BOED problems and can accommodate various optimality…
We present results for many-body perturbation theory for the one-body Green's function at finite temperatures using the Matsubara formalism. Our method relies on the accurate representation of the single-particle states in standard Gaussian…
As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…
We study a current transport through a system of a few grains connected with tunneling links. The exact solution is given for an arbitrarily connected double-grain system with a shared gate in the framework of the orthodox model. The…
We introduce a theoretical framework for computing transport coefficients for complex materials. As a first example, we resolve long-standing inconsistencies between experiment and theory pertaining to the conductivity and Hall mobility for…
Light transport in superdiffusive media of finite size is studied theoretically. The intensity Green's function for a slab geometry is found by discretizing the fractional diffusion equation and employing the eigenfunction expansion method.…
Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a "side-contact" geometry which causes the current to flow perpendicular to the sheets within the device. Such…
This paper proposes a new integer L-shaped method for solving two-stage stochastic integer programs whose first-stage solutions can decompose into disjoint components, each one having a monotonic recourse function. In a minimization…
We study a system of two non-interacting quantum wires with fermions of opposite chirality with a point contact junction at the origin across which tunneling can take place when an arbitrary time-dependent bias between the wires is applied.…
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…
This paper introduces a novel neural network-based approach to solving the Monge-Amp\`ere equation with the transport boundary condition, specifically targeted towards optical design applications. We leverage multilayer perceptron networks…