Related papers: An improved Green's function algorithm applied to …
A first principle theory of charge transport in spatially inhomogeneous quantum systems composed of any finite number of particles and subject to weak electro-magnetic fields is developed. Simple analytical expressions for the linear…
For large-scale discrete-time algebraic Riccati equations (DAREs) with high-rank nonlinear and constant terms, the stabilizing solutions are no longer numerically low-rank, resulting in the obstacle in the computation and storage. However,…
Many applications of Green's functions (GFs) require their evaluation over intervals or at multiple points, motivating quantum algorithms that return an efficiently computable functional representation rather than mere point estimates. We…
As the aerospace industry becomes increasingly demanding for stronger lightweight materials, the ultra-strong carbon nanotube (CNT) composites with highly aligned CNT network structures could be the answer. In this work, a novel methodology…
Within the framework of many-body perturbation theory based on Green's functions, the $GW$ approximation has emerged as a pivotal method for computing quasiparticle energies and excitation spectra. However, its high computational cost and…
In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied…
The Wave Function Matching (WFM) technique has recently been developed for the calculation of electronic transport in quantum two-probe systems. In terms of efficiency it is comparable with the widely used Green's function approach. The WFM…
We aim to provide engineers with an introduction to the non-equilibrium Green's function (NEGF) approach, which provides a powerful conceptual tool and a practical analysis method to treat small electronic devices quantum mechanically and…
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…
Building on the many existing algorithms for calculating the DC transport properties of quantum tight-binding models, we develop a systematic approach that expresses finite frequency observables in terms of the stationary Green's function…
Large optimal transport problems can be approached via domain decomposition, i.e. by iteratively solving small partial problems independently and in parallel. Convergence to the global minimizers under suitable assumptions has been shown in…
This paper presents a novel stochastic method for modeling the transport of Delayed Neutron Precursors (DNPs) in liquid nuclear fuel. The method incorporates advection and diffusion effects into the Monte Carlo solution of the neutron…
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that…
We introduce a quantum dot orbital tight-binding non-equilibrium Green's function approach for the simulation of novel solar cell devices where both absorption and conduction are mediated by quantum dot states. By the use of basis states…
We prove that when a class of partial differential equations, generalized from the cable equation, is defined on tree graphs, and when the inputs are restricted to a spatially discrete, well chosen set of points, the Green's function (GF)…
The Green functions play a big role in the calculation of the local density of states of the carbon nanostructures. We investigate their nature for the variously oriented and disclinated graphene-like surface. Next, we investigate the case…
A practical algorithm for many-electron systems based on the path-integral renormalization group (PIRG) method is proposed in the real-space finite-difference (RSFD) approach. The PIRG method, developed for investigating strongly correlated…
Quantum transport plays a central role in both fundamental physics and the development of quantum technologies. While significant progress has been made in understanding transport phenomena in quantum systems, methods for optimizing…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
Inverse boundary value problems for the radiative transport equation play important roles in optics-based medical imaging techniques such as diffuse optical tomography (DOT) and fluorescence optical tomography (FOT). Despite the rapid…