GPU-accelerated molecular dynamics simulation of solid covalent crystals

DOI10.1080/08927022.2011.597396zbMATH Open1264.81338OpenAlexW2129572233MaRDI QIDQ4918474FDOQ4918474

Authors: Chaofeng Hou, Wei Ge 

Publication date: 25 April 2013

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

Full work available at URL: https://doi.org/10.1080/08927022.2011.597396

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zbMATH Keywords

simulationmolecular dynamicsgraphics processing unitmany-bodybond order potentialscovalent crystal

Mathematics Subject Classification ID

Molecular physics (81V55) Many-body theory; quantum Hall effect (81V70) Statistical mechanics of crystals (82D25)

Cites Work

• The Art of Molecular Dynamics Simulation
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• GPU accelerated molecular dynamics simulation of thermal conductivities

Cited In (16)

• GPU-based molecular dynamics of turbulent liquid flows with OpenMM
• A novel mode and its verification of parallel molecular dynamics simulation with the coupling of GPU and CPU
• Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming
• GPU-accelerated molecular dynamics simulation for study of liquid crystalline flows
• Molecular structural mechanics approach to carbon nanotubes on graphics processing units
• Accelerated molecular dynamics force evaluation on graphics processing units for thermal conductivity calculations
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs
• Implementation properties of many-body potentials on heterogeneous computing systems
• Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines
• Accelerating solidification process simulation for large-sized system of liquid metal atoms using GPU with CUDA
• GPU accelerated dislocation dynamics
• Enhanced molecular dynamics performance with a programmable graphics processor
• GPU accelerated molecular dynamics simulation of thermal conductivities
• GPAMM-software package for molecular dynamics on graphical processing units
• New techniques for simulating crystals

Uses Software

• CUDA

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