Molecular dynamics in arbitrary geometries: Parallel evaluation of pair forces

DOI10.1080/08927020801930554zbMath1140.81467OpenAlexW2165775503WikidataQ59766507 ScholiaQ59766507MaRDI QIDQ3509736

Graham B. MacPherson, Jason M. Reese

Publication date: 2 July 2008

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://strathprints.strath.ac.uk/5834/

zbMATH Keywords

parallel computingmolecular dynamicshybrid simulationintermolecular force calculationnano fluidics

Mathematics Subject Classification ID

Related Items (3)

Fluid simulations with atomistic resolution: a hybrid multiscale method with field-wise coupling ⋮ An open source, parallel DSMC code for rarefied gas flows in arbitrary geometries ⋮ Particle tracking in unstructured, arbitrary polyhedral meshes for use in CFD and molecular dynamics

Uses Software

• CGAL
• METIS
• OpenFOAM

Cites Work

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• Hybrid atomistic--continuum method for the simulation of dense fluid flows
• Hybrid molecular–continuum fluid dynamics
• Hybrid computations with flux exchange
• A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow
• Driven Cavity Flow: From Molecular Dynamics to Continuum Hydrodynamics
• The Art of Molecular Dynamics Simulation

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