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We compare the semiclassical description of NEMS within and beyond the adiabatic approximation. We consider a NEMS model which contains a single phonon (oscillator) mode linearly coupled to an electronic few-level system in contact with…
We employ an elastic line model to investigate the steady-state properties and non-equilibrium relaxation kinetics of magnetic vortex lines in disordered type-II superconductors using Langevin molecular dynamics (LMD). We extract the…
The properties of a phase at finite interactions can be significantly influenced by the underlying dispersion of the non-interacting Hamiltonian. We demonstrate this by studying the repulsive Hubbard model on the $2$D Lieb lattice, which…
An exact treatment of the non-equilibrium dynamics of hard-core bosons on one-dimensional lattices shows that, starting from a pure Fock state, quasi-long-range correlations develop dynamically, and that they lead to the formation of…
We study equilibrium time correlations for the discrete nonlinear Schr\"odinger equation on a one-dimensional lattice and unravel three dynamical regimes. There is a high temperature regime with density and energy as the only two conserved…
We present a data-driven approach to efficiently approximate nonlinear transient dynamics in solid-state systems. Our proposed machine-learning model combines a dimensionality reduction stage with a nonlinear vector autoregression scheme.…
Nonthermal attractors govern the emergent self-similar dynamics of far-from-equilibrium quantum systems, from ultrarelativistic nuclear collisions to cold-atom experiments. Within the framework of adiabatic hydrodynamization, the approach…
Nonequilibrium phase transition plays a pivotal role in a broad physical context from condensed matter to cosmology. Tracking the formation of non-equilibrium phases in condensed matter is challenging and requires a resolution of the…
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…
Non-equilibrium radiation is addressed theoretically by means of a stochastic lattice-gas model. We consider a resonating transmission line composed of a chain of radiation resonators, each at a local equilibrium, whose boundaries are in…
We present an energy conserving lattice Boltzmann model based on a crystallographic lattice for simulation of weakly compressible flows. The theoretical requirements and the methodology to construct such a model are discussed. We…
We study the mechanics of temperature-driven reconstructive martensitic transformations in crystalline materials, within the framework of nonlinear elasticity theory. We focus on the prototypical case of the square-hexagonal transition in…
Given nonstationary data from molecular dynamics simulations, a Markovian Langevin model is constructed that aims to reproduce the time evolution of the underlying process. While at equilibrium the free energy landscape is sampled,…
By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…
We present a highly efficient lattice Boltzmann (LB) kinetic model for thermal liquid-vapor system. Three key components are as beow: (i) a discrete velocity model by Kataoka \emph{et al.} [Phys. Rev. E \textbf{69}, 035701(R)(2004)]; (ii) a…
The nonequilibrium reweighting technique, which was recently developed by the present authors, is used for the study of the nonequilibrium steady states. The renewed formulation of the nonequlibrium reweighting enables us to use the very…
Excited-state molecular dynamics (ESMD) simulations near conical intersections (CIs) pose significant challenges when using machine learning potentials (MLPs). Although MLPs have gained recognition for their integration into mixed…
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mixed quantum-classical molecular dynamics simulation methods,…
Data-driven modeling of non-Markovian dynamics is a recent topic of research with applications in many fields such as climate research, molecular dynamics, biophysics, or wind power modeling. In the frequently used standard Langevin…
The polaron formation is investigated in the intermediate regime of the Holstein model by using an exact diagonalization technique for the one-dimensional infinite lattice. The numerical results for the electron and phonon propagators are…