Related papers: Advanced Thermostats for Molecular Dynamics
We consider numerical methods for thermodynamic sampling, i.e. computing sequences of points distributed according to the Gibbs-Boltzmann distribution, using Langevin dynamics and overdamped Langevin dynamics (Brownian dynamics). A wide…
The quantum dynamics of two-level systems under classical oscillator heat bath is mapped to the classical one of a charged particle under harmonic oscillator potential plus a magnetic field in a plane. The behavior of eigenstates and…
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…
We introduce a modified molecular dynamics algorithm that allows one to freeze the dynamics of parts of a physical system, and thus concentrate the simulation effort on selected, central degrees of freedom. This freezing, in contrast to…
The authors present a study of the non equilibrium statistical properties of a one dimensional hard-rod fluid dissipating energy via inelastic collisions and subject to the action of a Gaussian heat bath, simulating an external driving…
In this study we derive a single-particle equation of motion, from first-principles, starting out with a microscopic description of a tracer particle in a one-dimensional many-particle system with a general two-body interaction potential.…
Previous years researchers began to simulate open quantum system, taking into account the interaction between system and the environment. One approach to deal with this problem is to use the density matrix within the Liouville-von-Neumann…
We exactly analyze the vibrational properties of a chain of harmonic oscillators in contact with local Langevin heat baths. Nonequilibrium steady-state fluctuations are found to be described by a set of mode-temperatures, independent of the…
The dynamics of a linear system embedded in a heat bath environment and subject to non- Gaussian noise is studied. Higher order cumulants in coordinate space are derived and their impact on the dynamics and on asymptotic steady state…
We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular dynamics simulations of noble, molecular and metallic liquids and provide the direct evidence that liquid energy and specific heat are…
The one-dimensional non-boost-invariant evolution of the quark-gluon plasma, presumably produced during the early stages of heavy-ion collisions, is analyzed within the frameworks of viscous and anisotropic hydrodynamics. We neglect…
Improvement of thermoelectric systems in terms of performance and range of applications relies on progress in materials science and optimization of device operation. In this chapter, we focuse on optimization by taking into account the…
The recent progress in understanding the mathematics of complex stochastic quantization, as well as its application to quantum chromodynamics in situations that have a complex phase problem (e.g. finite quark density, real time), has opened…
Starting from a Huxley-type model for an agitated vibrational mode, we propose an embedding of standard active particle models in terms of two-temperature processes. One temperature refers to an ambient thermal bath, and the other…
We study heat conduction in a one-dimensional {finite}, unpinned chain of atoms perturbed by stochastic momentum exchange and coupled to Langevin heat baths at {possibly} distinct temperatures placed at the endpoints of the chain. While…
We report new results about the anomalous diffusion of a particle in an aging medium. For each given age, the quasi-stationary particle velocity is governed by a generalized Langevin equation with a frequency-dependent friction coefficient…
In the context of a nonequilibrium statistical thermodynamics, based on a nonequilibrium statistical ensemble formalism, a generalized hydrodynamics of fluids under driven flow and shear stress is derived. At the thermodynamic level, the…
A new formulation of the plasma resistivity that arises from the collisional momentum-transfer rate between electrons and ions is presented. The resistivity computed herein is shown to depend not only on the temperature and density but also…
Stochastic thermodynamics has largely succeeded in characterizing both equilibrium and far-from-equilibrium phenomena. Yet many opportunities remain for application to mesoscopic complex systems -- especially biological ones -- whose…
Non-reciprocal interactions play a key role in shaping transport in active and passive systems, giving rise to striking nonequilibrium behavior. Here, we study the dynamics of a tracer -- active or passive -- embedded in a bath of active or…