Related papers: NESSi 2.0: The Non-Equilibrium Systems Simulation …
Far-from-equilibrium situations are ubiquitous in nature. They are responsible for a wealth of phenomena, which are not simple extensions of near-equilibrium properties, ranging from fluid flows turning turbulent to the highly organized…
Real-time Green's function simulations of molecular junctions (open quantum systems) are typically performed by solving the Kadanoff-Baym equations (KBE). The KBE, however, impose a serious limitation on the maximum propagation time due to…
In this minireview we will discuss recent progress in the analytical study of current-carrying non-equilibrium steady states (NESS) that can be constructed in terms of a matrix product ansatz. We will focus on one-dimensional exactly…
Within non-equilibrium Green's function technique on the real-time contour and the two-particle-irreducable (2PI) $\Phi$-functional method, a non-equilibrium potential is introduced. It naturally generalizes the conventional thermodynamic…
We report the results of a numerical study of nonequilibrium steady states for a class of Hamiltonian models. In these models of coupled matter-energy transport, particles exchange energy through collisions with pinned-down rotating disks.…
The nonequilibrium Dyson (or Kadanoff-Baym) equation, which is an equation of motion with long-range memory kernel for real-time Green functions, underlies many numerical approaches based on the Keldysh formalism. In this paper we map the…
We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…
Within the real-time formulation of nonequilibrium field theory, generalized transport equations are derived avoiding the standard quasiparticle approximation. They permit to include unstable particles into the transport scheme. In order to…
The non-equilibrium Green's function gives access to one-body observables for quantum systems. Of particular interest are quantities such as density, currents, and absorption spectra which are important for interpreting experimental results…
When a quantum system is subject to a thermal gradient it may sustain a steady non-equilibrium heat current, by entering into a so-called non equilibrium steady state (NESS). Here we show that NESS constitute a thermodynamic resource that…
The field of Neural-Symbolic (NeSy) systems is growing rapidly. Proposed approaches show great promise in achieving symbiotic unions of neural and symbolic methods. However, a unifying framework is needed to organize common NeSy modeling…
Within the non-equilibrium Green's function technique on the real time contour, the Phi-functional method of Baym is reviewed and generalized to arbitrary non-equilibrium many-particle systems. The scheme may be closed at any desired order…
The transport of conserved quantities like spin and charge is fundamental to characterizing the behavior of quantum many-body systems. Numerically simulating such dynamics is generically challenging, which motivates the consideration of…
In the nonequilibrium Green's function approach, the approximation of the correlation self-energy at the second-Born level is of particular interest, since it allows for a maximal speed-up in computational scaling when used together with…
We propose and apply the finite-element discrete variable representation to express the nonequilibrium Green's function for strongly inhomogeneous quantum systems. This method is highly favorable against a general basis approach with regard…
Nonequilibrium Green's functions provide a powerful tool for computing the dynamical response and particle exchange statistics of coupled quantum systems. We formulate the theory in terms of the density matrix in Liouville space and…
Progress in experimental techniques at nanoscale made measurements of noise in molecular junctions possible. These data are important source of information not accessible through average flux measurements. Emergence of optoelectronics,…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
We present a quantum kinetic approach for the time-resolved description of many-body effects in photoionization processes in atoms. The method is based on the non-equilibrium Green functions formalism and solves the Keldysh/Kadanoff-Baym…
Digital quantum computers offer a promising route for studying complex many-body systems that are otherwise inaccessible by their classical counterparts. Capabilities including mid-circuit measurements and feedback allow for simulating the…