Force correlations in molecular and stochastic dynamics

  title={Force correlations in molecular and stochastic dynamics},
  author={Su Do Yi and Beom Jun Kim},
  journal={Comput. Phys. Commun.},
3 Citations

Figures and Tables from this paper

Friction and diffusion of a nano-colloidal disk in a two-dimensional solvent with a liquid-liquid transition.
We report on the friction and diffusion of a single mobile nano-colloidal disk, whose size and mass are one and two orders of magnitude, respectively, greater than the molecules of the host solvent;
Chain Heterogeneity in Simulated Polymer Melts: Segment Orientational Autocorrelation Function
The dynamic heterogeneity of polymer chains is characterized by the lower correlation times of its end Kuhn segments with respect to those of the middle segments. In this study, the heterogeneity was
Is preservation of symmetry necessary for coarse-graining?
Investigating the importance of preserving symmetry of the underlying molecular graph of a given molecule when choosing a coarse-grained CG mapping finds preserving symmetry has no consistent effect on CG model accuracy regardless of CG method or comparison metric.


Molecular dynamics method in statistical physics
An analysis is made of the results obtained in investigations of dense media by the molecular dynamics method. This method is based on mathematical simulation of the motion of a sufficiently large
Force autocorrelation function in Brownian motion theory
The force autocorrelation function of an infinitely massive Brownian particle is studied with a molecular dynamics simulation. The plateau time problem, the calculation of the friction coefficient,
The Statistical Mechanical Theory of Transport Processes I. General Theory
Outlines are sketched for a general statistical mechanical theory of transport processes; e.g., diffusion, heat transfer, fluid flow, and response to time‐dependent external force fields. In the case
The Art of Molecular Dynamics Simulation
From the Publisher: This book describes the extremely powerful technique of molecular dynamics simulation, which involves solving the classical many-body problem in contexts relevant to the study of
Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids
The different roles the attractive and repulsive forces play in forming the equilibrium structure of a Lennard‐Jones liquid are discussed. It is found that the effects of these forces are most easily
From diffusion to anomalous diffusion: a century after Einstein's Brownian motion.
Two different but equivalent forms of kinetic equations, which reduce to known fractional diffusion or Fokker-Planck equations for waiting-time distributions following a power law, are derived.
Stability and ensemble inequivalence in a globally coupled system.
It is found that the stability of each solution varies differently with the temperature, revealing the inequivalence between the two ensembles and suggesting a physical explanation of the quasistationarity observed in recent numerical results.
Introduction to Statistical Physics
(1) Introduction to statistical methods.- (2) Statistical description of a physical system.- (3) Overview of classical thermodynamics.- (4) Microcanonical ensemble.- (5) Canonical ensemble.- (6) The
Anomalous Relaxation in the XY Gauge Glass
To study relaxation dynamics of the two-dimensional XY gauge glass, we integrate directly the equations of motion and investigate the energy function. As usual, it decays exponentially at high