Related papers: Truncating the memory time in nonequilibrium DMFT …
While Landauer's Principle sets a lower bound for the work required for a computation, that work is recoverable for efficient computations. However, practical physical computers, such as modern digital computers or biochemical systems, are…
Machine learning opens new avenues for modelling correlated materials. Quantum embedding approaches, such as the dynamical mean-field theory (DMFT), provide corrections to first-principles calculations for strongly correlated materials,…
We explore the use of exact diagonalization methods for solving the self consistent equations of the cellular dynamical mean field theory (CDMFT) for the one dimensional regular and extended Hubbard models. We investigate the nature of the…
We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements…
We explore the non-equilibrium dynamics of a one-dimensional Fermi-Hubbard system as a sensitive testbed for the capabilities of the time-dependent two-particle reduced density matrix (TD2RDM) theory to accurately describe time-dependent…
We study the non-Markovian dynamics of a qubit made up of a two-level atom interacting with an electromagnetic field (EMF) initially at finite temperature. Unlike most earlier studies where the bath is assumed to be fixed, we study the…
The thermalization of isolated quantum many-body systems is deeply related to fundamental questions of quantum information theory. While integrable or many-body localized systems display non-ergodic behavior due to extensively many…
We present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing…
For the simulation of equilibrium states and finite-temperature response functions of strongly-correlated quantum many-body systems, we compare the efficiencies of two different approaches in the framework of the density matrix…
We study the effect of spatially nonlocal correlations on the nonequilibrium dynamics of interacting fermions by constructing the nonequilibrium dynamical cluster theory, a cluster generalization of the nonequilibrium dynamical mean-field…
Dynamical mean-field theory (DMFT) provides an optimal local approximation for correlated lattice systems by mapping the lattice onto a self-consistent effective impurity model. To account for the missing long-range correlations, we propose…
We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By combining direct NEMD simulations and the transient-time…
Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge. Here, using the formalism of nonequilibrium Green's functions…
Correlated classical and quantum many-particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging…
Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a machine learning approach to accelerate…
We investigate the dynamical and analytical consequences of truncating the Gr\"unwald--Letnikov memory term in a fractional Duffing oscillator. The truncated memory is treated not merely as a computational approximation, but as a…
A major advance in density-matrix renormalization group (DMRG) calculations has been achieved by the invention of highly efficient DMRG techniques for the simulation of real-time dynamics of strongly correlated quantum systems in one…
We investigate an energy flow in an extended Holstein model describing electron systems coupled to hot-phonons and heat-bath phonons. To analyze the relaxation process after the photo-excitation of electrons, we employ the nonequilibrium…
Compute-in-memory accelerators built upon non-volatile memory devices excel in energy efficiency and latency when performing deep neural network (DNN) inference, thanks to their in-situ data processing capability. However, the stochastic…
The non-equilibrium Green's function (NEGF) approach offers a practical framework for simulating various phenomena in mesoscopic systems. As the dimension of electronic devices shrinks to just a few nanometers, the need for new…