Related papers: A reduced-order modeling approach for electron tra…
We suggest a generalisation of the expression of the nonequilibrium density matrix obtained by Hershfield's method for the cases where both heat and charge steady state currents are present in a quantum open system. The finite-size quantum…
In the reductionistic approach, mechanisms are divided into simpler parts interconnected in some standard way (e.g. by a mechanical transmission). We explore the possibility of porting reductionism in quantum operations. Conceptually, first…
Transport equations for autonomous driven Fermionic quantum systems are derived with the help of statistical assumptions and of the Markov approximation. The statistical assumptions hold if the system consists of subsystems within which…
Using a generalized Langevin equation of motion, quantum ballistic thermal transport is obtained from classical molecular dynamics. This is possible because the heat baths are represented by random noises obeying quantum Bose-Einstein…
We discuss the mathematical modeling and numerical discretization of transport problems on one-dimensional networks. Suitable coupling conditions are derived that guarantee conservation of mass across network junctions and dissipation of a…
Simulating the irreversible quantum dynamics of exciton and electron transfer problems poses a nontrivial challenge. Because the irreversibility of the system dynamics is a result of quantum thermal activation and dissipation caused by the…
In the construction of reduced-order models for dynamical systems, linear projection methods, such as proper orthogonal decompositions, are commonly employed. However, for many dynamical systems, the lower dimensional representation of the…
The present study deals with the finite element discretization of nanofluid convective transport in an enclosure with variable properties. We study the Buongiorno model, which couples the Navier-Stokes equations for the base fluid, an…
We show that an array of ultracold Rydberg atoms embedded in a laser driven background gas can serve as an aggregate for simulating exciton dynamics and energy transport with a controlled environment. Spatial disorder and decoherence…
This article presents the first complete application of a quantum time-marching algorithm for simulating multidimensional linear transport phenomena with arbitrary boundaries, whereby the success probabilities are problem intrinsic. The…
The late-time dynamics of quantum many-body systems is organized in distinct dynamical universality classes, characterized by their conservation laws and thus by their emergent hydrodynamic transport. Here, we study transport in the…
Modeling transition-continuum hypersonic flows poses significant challenges due to thermodynamic nonequilibrium and the associated breakdown of the continuum assumption. Standard continuum models such as the Navier-Stokes equations are…
This work presents a method for constructing online-efficient reduced models of large-scale systems governed by parametrized nonlinear scalar conservation laws. The solution manifolds induced by transport-dominated problems such as…
We are interested in a reduced order method for the efficient simulation of blood flow in arteries. The blood dynamics is modeled by means of the incompressible Navier-Stokes equations. Our algorithm is based on an approximated…
Model order reduction in high-dimensional, nonlinear dynamical systems if often enabled through fast-slow timescale separation. One such approach involves identifying a low-dimensional slow manifold to which the state rapidly converges and…
A new approach in the quantum theory of few-electron nanoelectronic devices -- the S-matrix approach -- is presented in a simple example: a single-electron transistor consisting of a single-level quantum dot connected with two metallic…
State estimation is key to both analyzing physical mechanisms and enabling real-time control of fluid flows. A common estimation approach is to relate sensor measurements to a reduced state governed by a reduced-order model (ROM). (When…
An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
A general nonperturbative theory of the low-energy electron propagator is developed and used to calculate the single-particle density of states in a variety of systems. This method involves the decoupling of the electron-electron…
We consider electronic transport through a single-molecule junction where the molecule has a degenerate spectrum. Unlike previous transport models, and theories a rate-equations description is no longer possible, and the quantum coherences…