Related papers: Mori generalized master equations offer an efficie…
We formulate a quantum master equation for the many-particle density matrix of electrons propagating through a single-mode conductor, combining elastic scattering by disorder with time-resolved projective measurements that monitor the…
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…
Beyond the second-order Born approximation, we develop an improved master equation approach to quantum transport by virtue of a self-consistent Born approximation. The basic idea is replacing the free Green's function in the tunneling…
The authors apply the generalized master equation to analyze time-dependent transport through a finite quantum wire with an embedded subsystem. The parabolic quantum wire and the leads with several subbands are described by a continuous…
The population transfer dynamics of model donor-bridge-acceptor systems is studied by comparing a recently developed polaron-transformed quantum master equation (PQME) with the well-known Redfield and Forster theories of quantum transport.…
Elucidating transport mechanisms and predicting transport coefficients is crucial for advancing material innovation, design, and application. Yet, state-of-the-art calculations are restricted to exact simulations of small lattices with…
We calculate the electronic transport properties of a system which is irradiated by a homogeneous microwave field. Within a Boltzmann equation approach, a general expression for the conductivity tensor is derived and evaluated for a quasi…
We extend the Feynman variational method applied to the parabolic-band Fr\"ohlich (continuum) large polaron~\cite{Feynman1955} to a Holstein (lattice) small polaron, with a parabolic-band. This new theory shows a discrete localisation as a…
We construct a particle-number(n)-resolved master equation (ME) approach under the self-consistent Born approximation (SCBA) for quantum transport through mesoscopic systems. The formulation is essentially non-Markovian and incorporates the…
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…
Methods derived from the generalized quantum master equation (GQME) framework have provided the basis for elucidating energy and charge transfer in systems ranging from molecular solids to photosynthetic complexes. Recently, the…
Diffusion models provide expressive priors for forecasting trajectories of dynamical systems, but are typically unreliable in the sparse data regime. Physics-informed machine learning (PIML) improves reliability in such settings; however,…
The generalized quantum master equation (GQME) approach provides a rigorous framework for deriving the exact equation of motion for any subset of electronic reduced density matrix elements (e.g., the diagonal elements). In the context of…
We present a formula for thermal transport in the bulk of Bose systems based on the quantum Boltzmann equation (QBE). First, starting from the quantum kinetic equation and using the Born approximation for impurity scattering, we derive the…
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…
Based on our recent work on quantum transport [Li et al., Phys. Rev. B 71, 205304 (2005)], where the calculation of transport current by means of quantum master equation was presented, in this paper we show how an efficient calculation can…
Accurately modelling many-body quantum transport systems poses a challenge both conceptually and computationally due to the growth of the Hilbert space and the multi-scale nature of the geometries and couplings present in most naturally…
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…
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.…
Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…