相关论文: A Review of Wave Packet Molecular Dynamics

An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalised Ewald summation is constructed for the wave packet models accounting for long-range…

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…

We study the quantum dynamics of a material wavepacket bouncing off a modulated atomic mirror in the presence of a gravitational field. We find the occurrence of coherent accelerated dynamics for atoms. The acceleration takes place for…

We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…

Active matter denotes a system of particles immersed in an external environment, from which the particles extract energy continuously in order to perform directed motion. Extending the paradigm of active matter to a quantum framework…

Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion. Hard spheres model…

Localized quantum wave packets can be produced in a variety of physical systems and are the subject of much current research in atomic, molecular, chemical, and condensed-matter physics. They are particularly well suited for studying the…

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and…

Physics students now have access to interactive molecular dynamics simulations that can model and animate the motions of hundreds of particles, such as noble gas atoms, that attract each other weakly at short distances but repel strongly…

This paper reviews Irradiation Driven Molecular Dynamics (IDMD) - a novel computational methodology for atomistic simulations of the irradiation driven transformations of complex molecular systems implemented in the MBN Explorer software…

We apply expansion methods to obtain an approximate expression in terms of elementary functions for the space and time dependence of wave packets in a dispersive medium. The specific application to pulses in a cold plasma is considered in…

Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principles molecular dynamics (FPMD), require a huge amount of…

In this paper we discuss possibilities to manipulate a matter-wave with time-dependent potentials. Assuming a specific setup on an atom chip, we explore how one can focus, accelerate, reflect, and stop an atomic wave packet, with, for…

We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…

The plasma emission process, which is the mechanism for solar type II and type III radio bursts phenomena, is studied by means of particle-in-cell and weak turbulence simulation methods. By plasma emission, it is meant as a loose…

It is shown that under certain dynamical conditions a material wave packet displays coherent, non-dispersive accelerated evolution in gravitational field over a modulated atomic mirror. The phenomenon takes place as a consequence of…

Plasma wakefield acceleration is a groundbreaking technique for accelerating particles, capable of sustaining gigavolt-per-meter accelerating fields. Understanding the physical mechanisms governing the recovery of plasma accelerating…

According to the wave-particle duality (WPD), quantum systems show both particle- and wave-like behavior, and cannot be described using only one of these classical concepts. Identifying quantum features that cannot be reproduced by any…

Understanding complex quantum dynamics in realistic materials requires insight into the underlying correlations dominating the interactions between the participating particles. Due to the wealth of information involved in these processes,…