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Numerical utilities of the Contact Block Reduction (CBR) method in evaluating the retarded Green's function, are discussed for 3-D multi-band open systems that are represented by the atomic tight-binding (TB) and continuum k\cdotp (KP) band…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Hoon Ryu , Hong-Hyun Park , Mincheol Shin , Dragica Vasileska , Gerhard Klimeck

Unprecedented control over the manufacture of electronic devices on nanometer scale has allowed to perform highly controllable and fine-tuned experiments in the quantum regime where exotic effects can nowadays be measured. In quantum dot…

Strongly Correlated Electrons · Physics 2022-12-20 Emma L. Minarelli

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…

Mesoscale and Nanoscale Physics · Physics 2019-10-02 Maarten L. Van de Put , Massimo V. Fischetti , William G. Vandenberghe

Scalable quantum information processing in spin-based architectures necessitates the a bility to reliably shuttle quantum states across extended device regions with minimal decoherence. In this work, we present a physics-informed algorithm…

Quantum Physics · Physics 2025-10-09 Andrii Sokolov , Conor Power , Elena Blokhina

Surface-gated quantum dots (QDs) in semiconductor heterostructures represent a highly attractive platform for quantum computation and simulation. However, in this implementation, the barriers through which the QD is tunnel-coupled to source…

This research addresses the numerical simulation of the Boltzmann transport equation for semiconductor devices by proposing a multidimensional self-adaptive numerical simulation framework. This framework is applied to two important…

Numerical Analysis · Mathematics 2025-09-22 Zeyu Zhang , Xiaoyu Zhang , Zhigang Song , Qing Fang

We present an interpolative method for describing coherent transport through an interacting quantum dot. The idea of the method is to construct an approximate electron self-energy which becomes exact both in the limits of weak and strong…

Mesoscale and Nanoscale Physics · Physics 2022-09-21 A. Levy Yeyati , A. Martin-Rodero , F. Flores

We present a scalable algorithm for solving the transport equation in two and three spatial dimensions for variable grid sizes and discrete velocities on a fault-tolerant universal quantum computer. As a proof of concept of our quantum…

Quantum Physics · Physics 2025-01-22 Merel A. Schalkers , Matthias Möller

The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak

The construction of quantum computer simulators requires advanced software which can capture the most significant characteristics of the quantum behavior and quantum states of qubits in such systems. Additionally, one needs to provide valid…

We present a new empirical pseudopotential (EPM) calculation approach to simulate the million atom nanostructured semiconductor devices under potential bias using the periodic boundary conditions. To treat the non-equilibrium condition,…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Xiang-Wei Jiang , Shu-Shen Li , Jian-Bai Xia , Lin-Wang Wang

Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics and material science. The most efficient…

Mesoscale and Nanoscale Physics · Physics 2019-12-25 Mathieu Istas , Christoph Groth , Xavier Waintal

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…

Quantum Physics · Physics 2026-02-04 Joseph Li , Gengzhi Yang , Jiaqi Leng , Xiaodi Wu

We investigate sequential tunneling transport through a semiconductor double quantum dot structure by combining a simple microscopic quantum confinement model with a Mott-Hubbard type correlation model. We calculate nonperturbatively the…

Mesoscale and Nanoscale Physics · Physics 2009-10-28 R. Kotlyar , S. Das Sarma

We study the transport properties of one-dimensional (1D) interacting Fermions through a barrier by numerically calculating the Kohn charge stiffness constant and the relative Drude weight. We find that the transport properties of the 1D…

Condensed Matter · Physics 2009-10-22 Q. P. Li , X. C. Xie

An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as…

Quantum Physics · Physics 2020-12-18 Soran Jahangiri , Juan Miguel Arrazola , Alain Delgado

Current methods for verifying quantum computers are predominately based on interactive or automatic theorem provers. Considering that quantum computers are dynamical in nature, this paper employs and extends the concepts from the…

Quantum Physics · Physics 2024-08-15 Marco Lewis , Sadegh Soudjani , Paolo Zuliani

Transport properties of a gated nanostructure depend crucially on the coupling of its states to the states of electrodes. In the case of a single quantum dot the coupling, for a given quantum state, is constant or can be slightly modified…

We present explicit kinetic equations for quantum transport through a general molecular quantum-dot, accounting for all contributions up to 4th order perturbation theory in the tunneling Hamiltonian and the complete molecular density…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 M. Leijnse , M. R. Wegewijs

Understanding transport phenomena in quantum spin systems has long intrigued physicists due to their potential applications in spintronic devices and spin qubits. Here, using a superconducting-qubit-based transmon device, we show that…

Quantum Physics · Physics 2026-02-17 Yi-Ting Lee , Bibek Pokharel , Jeffrey Cohn , Andre Schleife , Arnab Banerjee
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