相关论文: Relation of centroid molecular dynamics and ring-p…

Large-scale simulations of celestial systems are based on approximations or modifications of classical dynamics. The approximations are with ``particle-mesh'' (PM) substitutions of the attractions from objects far away, or one modify the…

We investigated the static and dynamic properties of a Rouse ring polymer modified by introducing an effective, spherically symmetric, attractive potential of entropic nature and a memory function describing the effect of dynamic…

We present a novel approach of mapping dissipative particle dynamics (DPD) into classical molecular dynamics. By introducing the invariant volume element representing the swarm of atoms we show that the interactions between the emerging…

We consider the coupled Einstein-Maxwell-Boltzmann system with cosmological constant in presence of a massive scalar field. The background metric is that of Friedman-Lema\^itre-Robertson-Walker space time in the spatially homogeneous case…

In this work we apply Thompson's method (of the dimensions and scales) to study some features of the Quantum Electro and Chromodynamics. This heuristic method can be considered as a simple and alternative way to the Renormalisation Group…

Classical and path integral molecular dynamics (PIMD) simulations are used to study alpha-quartz and beta-quartz in a large range of temperatures at zero external stress. PIMD account for quantum fluctuations of atomic vibrations, which can…

MOdified Newtonian Dynamics (MOND) is an alternative to the standard Cold Dark Matter (CDM) paradigm which proposes an alteration of Newton's laws of motion at low accelerations, characterized by a universal acceleration scale a_0. It…

By allowing torsion into the gravitational dynamics one can promote the cosmological constant, $\Lambda$, to a dynamical variable in a class of quasi-topological theories. In this paper we perform a mini-superspace quantization of these…

We focus on the transition from quantum to classical behavior in thermodynamic functions and time correlation functions of a system consisting of three identical quantum spins s that interact via isotropic Heisenberg exchange. The partition…

The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…

Relativistic Newtonian Dynamics (RND) was introduced in a series of recent papers by the author, in partial cooperation with J. M. Steiner. RND was capable of describing non-classical behavior of motion under a central attracting force. RND…

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to…

New hybrid Molecular Dynamics-Monte Carlo methods are proposed to increase the efficiency of constant-pressure simulations. Two variations of the isobaric Molecular Dynamics component of the algorithms are considered. In the first, we use…

The dynamics of a Brownian particle in a constant magnetic field and time-dependent electric field is studied in the limit of white noise, using a Langevin approach for the classical problem and the path-integral Feynman-Vernon and…

In applications of mechanics, including quantum mechanics, we often consider complex systems, where complete solutions of the underlying "fundamental" equations is both impractical and unnecessary to describe appropriate observations…

A Molecular Dynamics (MD) study of static and dynamic properties of molten and glassy germanium dioxide is presented. The interactions between the atoms are modelled by the classical pair potential proposed by Oeffner and Elliott (OE)…

We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged…

We consider the kinetic theory of the quantum and classical Toda lattice models. A kinetic equation of Bethe-Boltzmann type is derived for the distribution function of conserved quasiparticles. Near the classical limit, we show that the…

Many-body correlations developed in the constrained molecular dynamics approach in the frame-work of the CoMD model are analyzed in the case of a finite range effective interaction. The study is performed in the case of infinite nuclear…

Magnetic and electronic properties of the Hubbard model on the Bethe and fcc lattices in infinite dimensions have been investigated numerically on the basis of the dynamical coherent potential approximation (CPA) theory combined with the…