From Molecular Dynamics to Dissipative Particle Dynamics

Abstract

A procedure is introduced for deriving a coarse-grained dissipative particle dynamics from molecular dynamics. The rules of the dissipative particle dynamics are derived from the underlying molecular interactions, and a Langevin equation is obtained that describes the forces experienced by the dissipative particles and specifies the associated canonical Gibbs distribution for the system.

5 pages, to appear in PRL

References in corpus (2)

• Lattice-Gas Simulations of Ternary Amphiphilic Fluid Flow in Porous Media
• Detailed Balance and H-Theorems for Dissipative Particle Dynamics

Cited by in corpus (25)

• Perspective: Dissipative Particle Dynamics
• Dissipative particle dynamics for interacting systems
• Integration Schemes for Dissipative Particle Dynamics Simulations: From Softly Interacting Systems Towards Hybrid Models
• How would you integrate the equations of motion in dissipative particle dynamics simulations?
• Role of the H theorem in lattice Boltzmann hydrodynamic simulations
• Foundations of Dissipative Particle Dynamics
• Towards Better Integrators for Dissipative Particle Dynamics Simulations
• Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants
• Thermodynamically admissible form for discrete hydrodynamics
• Spinodal decomposition of off-critical quenches with a viscous phase using dissipative particle dynamics in two and three spatial dimensions
• Three-dimensional lattice-Boltzmann simulations of critical spinodal decomposition in binary immiscible fluids
• Mesoscopic Modelling and Simulation of Soft Matter
• Three dimensional hydrodynamic lattice-gas simulations of domain growth and self-assembly in binary immiscible and ternary amphiphilic fluids
• Dissipative Particle Dynamics and other particle methods for multiphase fluid flow in fractured and porous media
• Using force covariance to derive effective stochastic interactions in dissipative particle dynamics
• On the microscopic foundation of dissipative particle dynamics
• Implementation of non-uniform FFT based Ewald summation in Dissipative Particle Dynamic method
• Efficient Simulation of Tunable Lipid Assemblies Across Scales and Resolutions
• Stochastic effects in real and simulated charged particle beams
• A method for estimating the interactions in dissipative particle dynamics from particle trajectories
• Dynamical geometry for multiscale dissipative particle dynamics
• Bottom-up derivation of an effective thermostat for united atoms simulations of water
• Unraveling Internal Friction in a Coarse-Grained Protein Model
• Phase behaviour of coarse-grained fluids
• A Bottom-Up Field-Theoretic Framework via Hierarchical Coarse-Graining: Generalized Mode Theory