Related papers: Dynamic Mode Decomposition for Extrapolating Non-e…
Reliable numerical computation of quantum dynamics is a fundamental challenge when the long-ranged quantum entanglement plays essential roles as in the cases governed by quantum criticality in strongly correlated systems. Here we apply a…
Recently, diagrammatic extensions of dynamical mean field theory (DMFT) have been proposed for including short- and long-range correlations beyond DMFT on an equal footing. We employ one of these, the dynamical vertex approximation…
We expand on the previously published Gr{\o}nbech-Jensen Farago (GJF) thermostat, which is a thermodynamically sound variation on the St{\o}rmer-Verlet algorithm for simulating discrete-time Langevin equations. The GJF method has been…
We introduce a generalized Hamiltonian Mean Field Model (gHMF)-XY model with both linear and quadratic coupling between spins and explicit Hamiltonian dynamics. In addition to the usual paramagnetic and ferromagnetic phases, this model also…
This paper discusses the predictive capability of Dynamic Mode Decomposition (DMD) in the context of orbital mechanics. The focus is specifically on the Hankel variant of DMD which uses a stacked set of time-delayed observations for system…
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double…
This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…
We apply the Hubbard model, non-equilibrium Green's function (NEGF) theory, exact diagonalization (ED) and the hierarchical equations of motion (HEOM) method to investigate abundant magnetic phase transitions in the 1D interacting quantum…
In the framework of the quantum theory of many-particle systems, we study the compatibility of approximated Non-Equilibrium Green Functions (NEGFs) and of approximated solutions of the Dyson equation with a modified continuity equation of…
We show how to evaluate mobility profiles, characterizing the transport of confined fluids under a perturbation, from equilibrium molecular simulations. The correlation functions derived with the Green-Kubo formalism are difficult to sample…
We develop a new method which extends Dynamic Mode Decomposition (DMD) to incorporate the effect of control to extract low-order models from high-dimensional, complex systems. DMD finds spatial-temporal coherent modes, connects local-linear…
A closed set of coupled equations of motion for the description of time-dependent electron transport is derived. It provides the time evolution of energy-resolved quantities constructed from non-equilibrium Green functions. By means of an…
Accurate and efficient simulation of open quantum systems remains a significant challenge, particularly for Non-Markovian dynamics. We demonstrate the profound utility of expressing the environmental correlation function as a sum of damped…
Smooth, highly accurate analytical representations of Fermi-Dirac (FD) integral combinations important in free-energy density functional calculations are presented. Specific forms include those that occur in the local density approximation…
We present a systematic study of spectral functions of a time-periodically driven Falicov-Kimball Hamiltonian. In the high-frequency limit, this system can be effectively described as a Harper-Hofstadter-Falicov-Kimball model. Using…
The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green's functions. For finite systems the limitation of…
We present H-NESSi (The Hierarchical Non-Equilibrium Systems Simulation package), an open-source software package for solving the Kadanoff-Baym equations (KBE) of nonequilibrium Green's function (NEGF) theory using hierarchical low-rank…
Dynamic density functionals (DDFs) are popular tools for studying the dynamical evolution of inhomogeneous polymer systems. Here, we present a systematic evaluation of a set of diffusive DDF theories by comparing their predictions with data…
This paper discusses the application of Dynamic Mode Decomposition (DMD) to the extraction of modal properties of linear mechanical systems, i.e., experimental modal analysis (EMA). First, theoretical background of the DMD is briefly…