Related papers: Current Eigenmodes and Dephasing in Nanoscopic Qua…
We present a mathematical and computational framework to couple the Keldysh non equilibrium quantum transport formalism with a nanoscale lattice Boltzmann method for the computational design of quantum-engineered nanofluidic devices.
We propose a novel approach to nonequilibrium real-time dynamics of quantum impurities models coupled to biased non-interacting leads, such as those relevant to quantum transport in nanoscale molecular devices. The method is based on a…
We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
An environment interacting with a quantum system can enhance transport through the suppression of quantum effects responsible for localization. In this paper, we study the interplay between bulk dephasing and a linear potential in a…
In this work we study the treatment of asymmetric open quantum systems with neural networks based on the restricted Boltzmann machine. In particular, we are interested in the non-equilibrium steady state current in the boundary-driven…
We discuss recent developments in the study of quantum wavefunctions and transport in classically ergodic systems. Surprisingly, short-time classical dynamics leaves permanent imprints on long-time and stationary quantum behavior, which are…
We calculate the local current density in pristine armchair graphene nanoribbons (AGNRs) with varying width, $N_\mathrm{C}$, employing a density-functional-theory-based ab initio transport formalism. We observe very pronounced current…
We study the nonlinear cotunneling current through a spinful quantum dot contacted by two superconducting leads. Applying a general nonequilibrium Green function formalism to an effective Kondo model, we study the rich variation in the…
The nonstationary and steady-state transport through a mesoscopic sample connected to particle reservoirs via time-dependent barriers is investigated within the reduced density operator method. The generalized Master equation is solved via…
This research demonstrates analytical time-dependent non-equilibrium green function (TD-NEGF) algorithms to investigate dynamical functionalities of quantum devices, especially for photon-assisted transports. Together with the lumped…
A 1D model study of charge transport in nano-devices is made by comparing multi-configuration time dependent Hartree-Fock and frozen core calculations. The influence of exchange and Coulomb correlation on the tunneling current is…
We consider quantum transport in a tight-binding model on the Bethe lattice of finite generation, which we expect to be the first step toward analyzing electronic transport in a light-harvesting molecule. We seek conditions under which the…
The non-equilibrium Green's function method combined with density functional theory (NEGF-DFT) provides a rigorous framework for simulating nanoscale electronic transport, but its computational cost scales steeply with system size. Recent…
We study the interplay between strong correlations and Markovian dephasing, resulting from monitoring the charge or spin degrees of freedom of a quantum dot described by a dissipative Anderson impurity model. Using the Auxiliary master…
A non-equilibrium theory describing the charge qubit dynamics measured by a quantum point contact is developed based on Schwinger-Keldysh's approach. Using the real-time diagram technique, we derive the master equation to all orders in…
The interaction with time-dependent external fields, especially the interplay between time-dependent driving and quantum correlations, changes the familiar picture of electron transport through nanoscale systems. Although the exact solution…
Environmental noise plays a key role in determining the efficiency of transport in quantum systems. However, disorder and localisation alter the impact of such noise on energy transport. To provide a deeper understanding of this…
The main goal of this paper is to put on solid mathematical grounds the so-called Non-Equilibrium Green's Function (NEGF) transport formalism for open systems. In particular, we derive the Jauho-Meir-Wingreen formula for the time-dependent…
The fully self-consistent non-equilibrium Green functions (NEGFs) approach to the quantum transport is developed for the investigation of one-dimensional nano-scale devices. Numerical calculations performed for resonant tunneling diodes…