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Wavelet transforms are widely used in various fields of science and engineering as a mathematical tool with features that reveal information ignored by the Fourier transform. Unlike the Fourier transform, which is unique, a wavelet…

Quantum Physics · Physics 2024-04-23 Mohsen Bagherimehrab , Alan Aspuru-Guzik

In this paper we present a mode-matching technique to study the transmission coefficient of mesoscopic devices such as electron waveguides in the presence of high magnetic fields for different situations. A detailed study of the…

Condensed Matter · Physics 2009-10-22 J. J. Palacios , C. Tejedor

The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport…

Mesoscale and Nanoscale Physics · Physics 2010-04-28 Denis A. Areshkin , Branislav K. Nikolic

Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from…

This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…

Mesoscale and Nanoscale Physics · Physics 2013-05-28 Jian-Sheng Wang , Bijay Kumar Agarwalla , Huanan Li , Juzar Thingna

Digital twins (DTs) rely on continuous synchronization between physical systems and their virtual counterparts through online parameter estimation under uncertainty. In many practical settings, however, this task is challenged by low…

Computational Engineering, Finance, and Science · Computer Science 2026-05-19 Yasar Yanik , Himadri Basu , Ricardo G. Sanfelice , Daniele Venturi

The general theory for quantum simulation of cubic semiconductor n-MOSFETs is presented within the effective mass equation approach. The full three-dimensional transport problem is described in terms of coupled transverse subband modes…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Anisur Rahman , Mark S. Lundstrom , Avik W. Ghosh

This paper presents a comprehensive review of the wave-function approach for derivation of the number-resolved Master equations, used for description of transport and measurement in mesoscopic systems. The review contains important…

Mesoscale and Nanoscale Physics · Physics 2017-06-20 Shmuel Gurvitz

We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…

Mesoscale and Nanoscale Physics · Physics 2013-06-12 Sejoong Kim , Nicola Marzari

Simulation of Electron Transport through two dimensional(2D) waveguide using Quantum Transport Boundary Method (QTBM) is done. Specifically, as an example the results of modeling L-shaped contact for a rectangular waveguide are presented.…

Mesoscale and Nanoscale Physics · Physics 2019-09-16 Raja N. Mir , William R. Frensley

An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Taisuke Ozaki , Kengo Nishio , Hiori Kino

In this work, we investigate the transport phenomena in compound semiconductor material based buried channel Quantum Well MOSFET with a view to developing a simple and effective model for the device current. Device simulation has been…

Mesoscale and Nanoscale Physics · Physics 2020-06-14 Ehsanur Rahman , Abir Shadman , Sudipta Romen Biswas , Kanak Datta , Quazi D. M. Khosru

The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 D. A. Ryndyk , R. Gutierrez , B. Song , G. Cuniberti

Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Paula Havu , Noora Tuomisto , Riikka Vaananen , Martti J. Puska , Risto M. Nieminen

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

Quantum transduction, which enables the coherent conversion of quantum information between disparate physical platforms, is a cornerstone for realizing scalable and interoperable quantum networks. Among various approaches, parametric…

Optics · Physics 2025-12-05 Hao Zhang , Yang Xu , Linshan Sun , Wei Cui , Robert W. Boyd , Sergio Carbajo

A new approximate computational framework is proposed for computing the non-equilibrium charge density in the context of the non-equilibrium Green's function (NEGF) method for quantum mechanical transport problems. The framework consists of…

Computational Physics · Physics 2015-05-20 Quan Chen , Jun Li , Chiyung Yam , Yu Zhang , Ngai Wong , Guanhua Chen

In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…

Materials Science · Physics 2021-01-01 Guido Gandus , Youseung Lee , Daniele Passerone , Mathieu Luisier

III-V tunneling field-effect transistors (TFETs) offer great potentials in future low-power electronics application due to their steep subthreshold slope and large "on" current. Their 3D quantum transport study using non-equilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2016-10-04 Jun Z. Huang , Lining Zhang , Pengyu Long , Michael Povolotskyi , Gerhard Klimeck

The complex absorbing potential (CAP) formalism has been successfully employed in various wavefunction-based methods to study electronic resonance states. In contrast, Green's function-based methods are widely used to compute ionization…

Chemical Physics · Physics 2026-05-20 Loris Burth , Fábris Kossoski , Pierre-François Loos