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We present a novel hierarchical quantum master equation (HQME) approach which provides a numerically exact description of nonequilibrium charge transport in nanosystems with electronic-vibrational coupling. In contrast to previous work…

Mesoscale and Nanoscale Physics · Physics 2018-06-20 C. Schinabeck , R. Härtle , M. Thoss

We present a hierarchical quantum master equation (HQME) approach, which allows the numerically exact evaluation of higher-order current cumulants in the framework of full counting statistics for nonequilibrium charge transport in…

Mesoscale and Nanoscale Physics · Physics 2020-02-20 C. Schinabeck , M. Thoss

The hierarchical quantum master equation (HQME) approach is an accurate method to describe quantum transport in interacting nanosystems. It generalizes perturbative master equation approaches by including higher-order contributions as well…

Mesoscale and Nanoscale Physics · Physics 2018-08-29 Andre Erpenbeck , Christian Hertlein , Christian Schinabeck , Michael Thoss

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…

Quantum Physics · Physics 2025-06-26 Sofia Sevitz , Federico Cerisola , Janet Anders

We present a hierarchical equations of motion approach, which allows a numerically exact simulation of nonequilibrium transport in general open quantum systems involving multiple macroscopic bosonic and fermionic environments. The…

Statistical Mechanics · Physics 2021-06-18 Jakob Bätge , Yaling Ke , Christoph Kaspar , Michael Thoss

A quantum master equation (QME) is derived for the many-body density matrix of an open current-carrying system weakly coupled to two metal leads. The dynamics and the steady-state properties of the system for arbitrary bias are studied…

Statistical Mechanics · Physics 2016-08-31 Upendra Harbola , Massimiliano Esposito , Shaul Mukamel

We give a detailed comparison of the hierarchical quantum master equation (HQME) method to a continuous-time quantum Monte Carlo (CT-QMC) approach, assessing the usability of these numerically exact schemes as impurity solvers in practical…

Mesoscale and Nanoscale Physics · Physics 2015-08-28 R. Härtle , G. Cohen , D. R. Reichman , A. J. Millis

An iterative approach is introduced, which allows the efficient solution of the hierarchical equations of motion (HEOM) for the steady state of open quantum systems. The approach combines the method of matrix equations with an efficient…

Mesoscale and Nanoscale Physics · Physics 2021-07-15 Christoph Kaspar , Michael Thoss

We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…

Mesoscale and Nanoscale Physics · Physics 2012-10-15 H. Ness , L. K. Dash

In this review article, we present a non-equilibrium quantum transport theory for transient electron dynamics in nanodevices based on exact master equation derived with the path integral method in the fermion coherent-state representation.…

Mesoscale and Nanoscale Physics · Physics 2016-11-15 Pei-Yun Yang , Wei-Min Zhang

A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…

Chemical Physics · Physics 2019-12-05 A. Erpenbeck , M. Thoss

We propose a simple scheme that describes accurately essential non-equilibrium effects in nanoscale electronics devices using equilibrium transport theory. The scheme, which is based on the alignment and dealignment of the junction…

Mesoscale and Nanoscale Physics · Physics 2012-10-01 V. M. García-Suárez , J. Ferrer

Time-dependent currents in molecular junctions can be caused by structural fluctuations or interaction with external fields. In this publication, we demonstrate how the hierarchical quantum master equation approach can be used to study…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Andre Erpenbeck , Lukas Götzendörfer , Christian Schinabeck , Michael Thoss

We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [J. Chem. Phys. 137, 154107 (2012)]. To properly describe…

Strongly Correlated Electrons · Physics 2015-06-18 Bin Li , Eli. Y. Wilner , Michael Thoss , Eran Rabani , William H. Miller

A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation…

Strongly Correlated Electrons · Physics 2015-10-28 Martin Nuss , Gerhard Dorn , Antonius Dorda , Wolfgang von der Linden , Enrico Arrigoni

The interplay between interference effects and electron-electron interactions in electron transport through an interacting double quantum dot system is investigated using a hierarchical quantum master equation approach which becomes exact…

Mesoscale and Nanoscale Physics · Physics 2013-12-24 R. Härtle , G. Cohen , D. R. Reichman , A. J. Millis

Here we outline and test an extension of the energy grained master equation (EGME) for treating nonadiabatic (NA) hopping between different potential energy surfaces, which enables us to model the competition between stepwise collisional…

Chemical Physics · Physics 2021-06-09 Darya Shchepanovska , Robin J. Shannon , Basile F. E. Curchod , David R. Glowacki

Nonequilibrium quantum transport is of central importance in nanotechnology. Its description requires the understanding of strong electronic correlations, which couple atomic-scale phenomena to the nanoscale. So far, research in correlated…

Mesoscale and Nanoscale Physics · Physics 2023-08-16 A. Erpenbeck , E. Gull , G. Cohen

Nonequilibrium energy transport serves as one of fundamental problems in quantum thermodynamics and quantum technologies. Driven quantum master equation in the dressed picture provides an efficient way of investigating nonequilibrium energy…

Quantum Physics · Physics 2026-04-01 Junran Kong , Yuwei Lu , Huan Liu , Liwei Duan , Chen Wang

We address the connection between negative electronic friction and non-Markovian effects in the nonadiabatic vibrational dynamics of molecules interacting with metal surfaces under nonequilibrium conditions. We show that a generic…

Mesoscale and Nanoscale Physics · Physics 2026-05-29 Riley J. Preston , Samuel L. Rudge , Daniel S. Kosov , Michael Thoss
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