Related papers: NESSi: The Non-Equilibrium Systems Simulation pack…
Dyson's model is a one-dimensional system of Brownian motions with long-range repulsive forces acting between any pair of particles with strength proportional to the inverse of distances with proportionality constant $\beta/2$. We give…
Non-equilibrium dynamics of many-body systems is important in many branches of science, such as condensed matter, quantum chemistry, and ultracold atoms. Here we report the experimental observation of a phase transition of the quantum…
Since proposed in the 70s, the Non-Equilibrium Green Function (NEGF) method has been recognized as a standard approach to quantum transport simulations. Although it achieves superiority in simulation accuracy, the tremendous computational…
An equivalence between non equilibrium steady states (NESS) driven by a time-independent force and stochastic pumps (SP) stirred by a time-varying conservative force is studied for general many-body diffusive systems. When the particle…
Stationary electric transport in semiconductor nanostructures is studied by the method of nonequilibrium Green functions. In the case of sequential tunneling the results are compared with density matrix theory, providing almost identical…
Relaxation dynamics of complex many-body quantum systems brought out of equilibrium and subsequently trapped into metastable states is a very active field of research from both the theoretical and experimental point of view with…
An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system…
For the first time, the non-equilibrium time-relaxation kinetic model (NTRKM) is proposed for compressible turbulence modeling on unresolved grids. Within the non-equilibrium time-relaxation framework, NTRKM is extended in the form of…
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…
In this work, we present NENCI-2021, a benchmark database of approximately $8,000$ non-equilibrium non-covalent interaction energies for a large and diverse selection of intermolecular complexes of biological and chemical relevance. To meet…
After the discovery of GMR by Fert and Gr\"unberg, electronics had a breakthrough with the birth of a new branch called spintronics. This discipline, while still young, exploits the spin of electrons. Most quantum devices exploiting this…
The accurate description and robust computational modeling of the nonequilibrium properties of quantum systems remain a challenge in condensed matter physics. In this work, we develop a linear-scale computational simulation technique for…
Fluid transport across nanometric channels induced by electric, pressure and concentration gradients is ubiquitous in biological systems and fosters various applications. In this context, computer simulation setups with well-defined…
Interacting quantum many-body systems constitute a fascinating playground for researchers since they form quantum liquids with correlated ground states and low-lying excitations, which exhibit universal behaviour. In fermionic systems, such…
The Green's function plays a crucial role when studying the nature of quantum many-body systems, especially strongly-correlated systems. Although the development of quantum computers in the near future may enable us to compute energy…
Quantum fluctuation relations provide a microscopic formulation of thermodynamics beyond equilibrium, but experimentally accessing many-body quantum work statistics remains an outstanding challenge. The quantum piston constitutes a…
We present a microscopic modeling for a decay of a heavy compound nucleus, starting from a nucleonic degree of freedom. To this end, we develop an approach based on a non-equilibrium Green's function, which is combined with a configuration…
We present a non-equilibrium Green's functional approach to study the dynamics following a quench in weakly interacting Bose Hubbard model (BHM). The technique is based on the self-consistent solution of a set of equations which represents…
Digital quantum computers are potentially an ideal platform for simulating open quantum many-body systems beyond the digital classical computers. Many studies have focused on obtaining the ground state by simulating time dynamics or…
This article describes nonequilibrium techniques for the calculation of free energies of solids using molecular dynamics (MD) simulations. These methods provide an alternative to standard equilibrium thermodynamic integration methods and…