Related papers: Hyperdynamics for entropic systems: time-space com…
The dynamics of the expansion of a Lennard-Jones system, initially confined at high density and subsequently expanding freely in the vacuum, is confronted to an expanding statistical ensemble, derived in the diluted quasi-ideal Boltzmann…
We investigate theoretically the superfluidity of a one-dimensional boson system whose hopping energy is periodically modulated with a zero time average, which results in the suppression of first-order single-particle hopping processes. The…
Isolated quantum systems follow the unitary evolution, which guarantees the full many body state always keeps a constant entropy as its initial one. In comparison, the local subsystems exhibit relaxation behavior and evolve towards certain…
A few years ago it was showed that some systems that have very similar local structure, as quantified by the pair correlation function, exhibit vastly different slowing down upon supercooling [L. Berthier and G. Tarjus, Phys. Rev. Lett.…
In this paper we explore how concepts of high-dimensional data compression via random projections onto lower-dimensional spaces can be applied for tractable simulation of certain dynamical systems modeling complex interactions. In such…
Metadynamics is an enhanced sampling method of great popularity, based on the on-the-fly construction of a bias potential that is function of a selected number of collective variables. We propose here a change in perspective that shifts the…
Contraction theory for dynamical systems on Euclidean spaces is well-established. For contractive (resp. semi-contractive) systems, the distance (resp. semi-distance) between any two trajectories decreases exponentially fast. For partially…
Condensed ionic systems are described in the framework of a combined approach that takes into account both long-range and short-range interactions. Short-range interaction is expressed in terms of mean potentials and long-range interaction…
A thermodynamic framework that predicts the thermal conductivity $\lambda$ of simple fluids beyond the dilute-gas limit is introduced. By generalizing the transition-rate approach of particles on a lattice to conserved quantities in…
We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…
In this paper, we present a study of supercooled liquids interacting with the Lennard Jones (LJ) potential and the corresponding purely repulsive (Weeks-Chandler-Andersen or WCA) potential, over a range of densities and temperatures, in…
A simple general theorem is used as a tool that generates nonlocal constants of motion for Lagrangian systems. We review some cases where the constants that we find are useful in the study of the systems: the homogeneous potentials of…
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated…
Information-theoretic quantities such as Renyi entropies show a remarkable universality in their late-time behaviour across a variety of chaotic many-body systems. Understanding how such common features emerge from very different…
The Variation After Projection approach is applied for the first time to the pairing hamiltonian to describe the thermodynamics of small systems with fixed particle number. The minimization of the free energy is made by a direct…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
Metriplectic dynamical systems consist of a special combination of a Hamiltonian and a (generalized) entropy-gradient flow, such that the Hamiltonian is conserved and entropy is dissipated/produced (depending on a sign convention). It is…
We present the molecular hyperdynamics algorithm and its implementation to the nonorthogonal tight-binding model NTBM and the corresponding software. Due to its multiscale structure, the proposed approach provides the long time scale…
We present a novel approach to kinetic theory modeling enabling the simulation of a generic, real gas presented by its corresponding equation of state. The model is based on mass, momentum and energy conservation, and unlike the lattice…
We introduce a systematic framework to calculate the bipartite entanglement entropy of a compact spatial subsystem in a one-dimensional quantum gas which can be mapped into a noninteracting fermion system. We show that when working with a…