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We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. Within the non equilibrium Green function…

Mesoscale and Nanoscale Physics · Physics 2008-03-18 Kyryl Kazymyrenko , Xavier Waintal

Based on a microcanonical picture that maps the steady-state quantum transport process to a drain-to-source excitation, we develop a constrained-search density functional formalism for finite-bias quantum transport calculations. By…

Mesoscale and Nanoscale Physics · Physics 2018-08-13 Han Seul Kim , Yong-Hoon Kim

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

An approach is developed for the determination of the current flowing through a nanosize silicon-on-insulator (SOI) metal-oxide-semiconductor field-effect transistors (MOSFET). The quantum mechanical features of the electron transport are…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 M. D. Croitoru , V. N. Gladilin , V. M. Fomin , J. T. Devreese , W. Magnus , W. Schoenmaker , B. Soree

A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 San-Huang Ke , Harold U. Baranger , Weitao Yang

While quantum accelerometers sense with extremely low drift and low bias, their practical sensing capabilities face two limitations compared with classical accelerometers: a lower sample rate due to cold atom interrogation time, and a…

Atomistic quantum transport simulation of realistically large devices is computationally very demanding. The widely used mode space (MS) approach can significantly reduce the numerical cost but good MS basis is usually very hard to obtain…

Mesoscale and Nanoscale Physics · Physics 2018-01-30 Jun Z. Huang , Hesameddin Ilatikhameneh , Michael Povolotskyi , Gerhard Klimeck

We develop a quantum scattering model to describe the exciton transport through the Fenna-Matthews-Olson(FMO) complex. It is found that the exciton transport involved the optimal quantum coherence is more efficient than that involved…

Biomolecules · Quantitative Biology 2016-12-28 Bao-quan Ai , Shi-liang Zhu

In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…

Numerical Analysis · Mathematics 2025-02-19 Pierre Monmarché , Renato Spacek , Gabriel Stoltz

We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…

Mesoscale and Nanoscale Physics · Physics 2014-02-14 Zheyong Fan , Andreas Uppstu , Topi Siro , Ari Harju

Four-wave mixing (FWM) in gas-filled hollow-core capillaries, a nonlinear optical process that mixes signal and pump photon frequencies to generate idler frequency photons, offers a method for precise spectral phase transfer from signal to…

We have presented a consistent electronic transport framework for the two-dimensional extended Holstein's organic molecular-crystal based upon complete quantum-mechanical treatment through the non-equilibrium Green's function (NEGF)…

Mesoscale and Nanoscale Physics · Physics 2022-08-04 Bhupesh Bishnoi

We study electron transport through a quantum interferometer with side-coupled quantum dots. The interferometer, threaded by a magnetic flux $\phi$, is attached symmetrically to two semi-infinite one-dimensional metallic electrodes. The…

Mesoscale and Nanoscale Physics · Physics 2010-12-17 Santanu K. Maiti

State-of-the-art industrial semiconductor device modeling is based on highly efficient Drift-Diffusion (DD) models that include some quantum corrections for nanodevices. In contrast, latest academic quantum transport models are based on the…

After the discovery of GMR by Fert and Gr\"unberg, electronics had a breakthrough with the birth of a new branch called spintronics. This discipline, while still young, exploits the spin of electrons. Most quantum devices exploiting this…

Mesoscale and Nanoscale Physics · Physics 2015-01-27 Yann Claveau

Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…

Materials Science · Physics 2025-08-21 Aleksandr Poliukhin , Nicola Colonna , Francesco Libbi , Samuel Poncé , Nicola Marzari

The modeling of optical wave propagation in optical fiber is a task of fast and accurate solving the nonlinear Schr\"odinger equation (NLSE), and can enable the optical system design, digital signal processing verification and fast waveform…

Signal Processing · Electrical Eng. & Systems 2022-05-17 Hang Yang , Zekun Niu , Haochen Zhao , Shilin Xiao , Weisheng Hu , Lilin Yi

It has been recently shown that a nanostructure composed of a quantum dot surrounded by a quantum ring possesses a set of very unique characteristics that make it a good candidate for future nanoelectronic devices. Its main advantage is the…

Mesoscale and Nanoscale Physics · Physics 2016-04-15 Iwona Janus-Zygmunt , Barbara Kedzierska , Anna Gorczyca-Goraj , Elzbieta Zipper , Maciej M. Maska

Obtaining the total wavefunction evolution of interacting quantum systems provides access to important properties, such as entanglement, shedding light on fundamental aspects, e.g. quantum energetics and thermodynamics, and guiding towards…

Quantum Physics · Physics 2022-02-02 Maria Maffei , Patrice A. Camati , Alexia Auffèves

Semantic communication is a promising technique for emerging wireless applications, which reduces transmission overhead by transmitting only task-relevant features instead of raw data. However, existing methods struggle under extremely low…

Image and Video Processing · Electrical Eng. & Systems 2025-10-30 Peiwen Jiang , Jiajia Guo , Chao-Kai Wen , Shi Jin , Jun Zhang
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