An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations

DOI10.1016/J.CPC.2007.05.005zbMath1196.82059OpenAlexW2007263373MaRDI QIDQ710172

Yuefan Deng, Kwang Jin Oh

Publication date: 18 October 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2007.05.005

zbMATH Keywords

3D fast Fourier transformparallel molecular dynamics simulationsmooth particle mesh Ewald method

Mathematics Subject Classification ID

Numerical methods for discrete and fast Fourier transforms (65T50) Parallel numerical computation (65Y05)

Related Items (2)

Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations ⋮ Accelerating solidification process simulation for large-sized system of liquid metal atoms using GPU with CUDA

Cites Work

• Unnamed Item
• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
• Fast parallel algorithms for short-range molecular dynamics
• Parallel atomistic simulations

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