Related papers: Mori generalized master equations offer an efficie…
The Ford-Kac-Mazur formalism is used to study quantum transport in (1) electronic and (2) harmonic oscillator systems connected to general reservoirs. It is shown that for non-interacting systems the method is easy to implement and is used…
We study a scenario where an aircraft has multiple heterogeneous sensors collecting measurements to track a target vehicle of unknown location. The measurements are sampled along the flight path and our goals to optimize sensor placement to…
We apply the adaptive time-dependent Density Matrix Renormalization Group method (tDMRG) to the study of transport properties of quantum-dot systems connected to metallic leads. Finite-size effects make the usual tDMRG description of the…
We have developed a simulation system for nanoscale high-electron mobility transistors, in which the self-consistent solution of Poisson and Schr\"odinger equations is obtained with the finite element method. We solve the exact set of…
Monge-Kantorovich optimal mass transport (OMT) provides a blueprint for geometries in the space of positive densities -- it quantifies the cost of transporting a mass distribution into another. In particular, it provides natural options for…
We present a new method to derive transport equations for quantum many-particle systems. This method uses an equation-of-motion technique and is applicable to systems with bosons and fermions, arbitrary interactions and time-dependent…
We present a modified model order reduction (MOR) technique for the FFT-based simulation of composite microstructures. It utilizes the earlier introduced MOR technique (Kochmann et al. [2019]), which is based on solving the…
We give a full description of the numerical solution of a general charge transport model for doped disordered semiconductors with arbitrary field- and density-dependent mobilities. We propose a suitable scaling scheme and generalize the…
We use a generalized master equation (GME) formalism to describe the non-equilibrium time-dependent transport of Coulomb interacting electrons through a short quantum wire connected to semi-infinite biased leads. The contact strength…
We show that transport in low-dimensional carbon structures with finite concentrations of scatterers can be modeled by utilising scaling theory and effective cross sections. Our reults are based on large scale numerical simulations of…
The field of superconducting quantum computing, based on Josephson junctions, has recently seen remarkable strides in scaling the number of logical qubits. In particular, the fidelities of one- and two-qubit gates are close to the breakeven…
Real-world physical systems, like composite materials and porous media, exhibit complex heterogeneities and multiscale nature, posing significant computational challenges. Computational homogenization is useful for predicting macroscopic…
The existing kinetic theory of gases is based on an analytical approach that becomes intractable for all but the simplest molecules. Here we propose a simple numerical scheme to compute the transport properties of molecular gases in the…
This paper aims to comprehensively investigate the efficacy of various Model Order Reduction (MOR) and deep learning techniques in predicting heat transfer in a pulsed jet impinging on a concave surface. Expanding on the previous…
The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…
The cross over from low to high carrier densities in a many-polaron system is studied in the framework of the one-dimensional spinless Holstein model, using unbiased numerical methods. Combining a novel quantum Monte Carlo approach and…
Coupling the vibrations of an oscillator to electronic transport is a key building block for nanoelectromechanical systems. They describe many nanoscale electrical components such as molecular junctions. Inspired by recent experimental…
The Mori-Zwanzig projection operator formalism is one of the central tools of nonequilibrium statistical mechanics, allowing to derive macroscopic equations of motion from the microscopic dynamics through a systematic coarse-graining…
We introduce scalable machine learning models to accurately predict two key quantum transport properties, the transmission coefficient T(E) and average local density of states (Average-LDOS) in two-dimensional (2D) hexagonal materials with…