Related papers: Complex non-Hermitian Potentials and Real-Time Tim…
The accurate simulation of real--time quantum transport is notoriously difficult, requiring a consistent scheme to treat incoming and outgoing fluxes at the boundary of an open system. We demonstrate a method to converge non--equilibrium…
In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master-equation with the well-known time-dependent density functional theory. The…
By viewing the non-equilibrium transport setup as a quantum open system, we propose a reduced-density-matrix based quantum transport formalism. At the level of self-consistent Born approximation, it can precisely account for the correlation…
Based on our earlier works [Phys. Rev. B 75, 195127 (2007) & J. Chem. Phys. 128, 234703 (2008)], we propose a formally exact and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The…
For quantum transport through mesoscopic system, a quantum master equation approach is developed in terms of compact expressions for the transport current and the reduced density matrix of the system. The present work is an extension of…
Electrons in the active region of a nanostructure constitute an open many-body quantum system, interacting with contacts, phonons, and photons. We review the basic premises of the open system theory, focusing on the common approximations…
We propose a simple, yet feasible, model for quantum transport of fermionic carriers across tight-binding chain connecting two reservoirs maintained at arbitrary temperatures and chemical potentials. The model allows for elementary…
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.…
Efficiency of quantum transport through aggregates with multiple end-points or traps proves to be an emergent and a highly non-equilibrium phenomenon. We present a numerically exact approach for computing the emergent time scale and amount…
Transport in open quantum systems can be explored through various theoretical frameworks, including the quantum master equation, scattering matrix, and Heisenberg equation of motion. The choice of framework depends on factors such as the…
Time-resolved electron transport in nano-devices is described by means of a time-nonlocal quantum master equation for the reduced density operator. Our formulation allows for arbitrary time dependences of any device or contact parameter.…
Many important quantities in quantum information science, such as entropy and entanglement, are non-linear functions of the density matrix and cannot be expressed as operator observables. Standard open-system approaches evolve only a single…
The rapid development of quantum computers has enabled demonstrations of quantum advantages on various tasks. However, real quantum systems are always dissipative due to their inevitable interaction with the environment, and the resulting…
Nanoscale electronic transport is of intense technological interest, with applications ranging from semiconducting devices and molecular junctions to charge migration in biological systems. Most explicit theoretical approaches treat…
We build an exact framework to evaluate heat, energy, and particle transport between Gaussian reservoirs mediated by a quadratic quantum system. By combining full counting statistics with newly developed non-Markovian master equation…
We present a new method to derive transport equations for quantum many-particle systems. This method uses an equation-of-motion technique and is applicable to systems with bosons and fermions, arbitrary interactions and time-dependent…
An original method to exactly solve the non-Markovian Master Equation describing the interaction of a single harmonic oscillator with a quantum environment in the weak coupling limit is reported. By using a superoperatorial approach we…
Exact and nonperturbative quantum master equation can be constructed via the calculus on path integral. It results in hierarchical equations of motion for the reduced density operator. Involved are also a set of well--defined auxiliary…
In the time-dependent simulation of pure states dealing with transport in open quantum systems, the initial state is located outside of the active region of interest. Using the superposition principle and the analytical knowledge of the…
By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…