Development of an automated reliable method to compute transport properties from DPD equilibrium simulations: application to simple fluids

DOI10.1016/j.cpc.2023.108843zbMath1520.76063MaRDI QIDQ6167672

N. Lauriello, Gianluca Boccardo, Antonio Buffo, Daniele L. Marchisio, Martin Lísal

Publication date: 7 August 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

Green-Kubo formulatime integrationdissipative particle dynamicsequilibrium methodeffective friction coefficientShardlow splitting algorithmrheological fluid modeltransverse DPD thermostat

Mathematics Subject Classification ID

Particle methods and lattice-gas methods (76M28) Statistical mechanics of liquids (82D15) Foundations, constitutive equations, rheology, hydrodynamical models of non-fluid phenomena (76A99)

Cites Work

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• Splitting for Dissipative Particle Dynamics
• Simulating flow of DNA suspension using dissipative particle dynamics
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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