An Iterative PPPM Method for Simulating Coulombic Systems on Distributed Memory Parallel Computers

DOI10.1080/08927029808022044MaRDI QIDQ4512776zbMATH OpenOpenAlexFDO

Authors J. Beckers, C. P. Lowe, Simon W. De Leeuw

Publication date 5 November 2000

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927029808022044

zbMATH Keywords

Coulomb interactionelectrostatic interactionEwald summationmolecular simulationparallel algorithmsparticle-particle particle mesh

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Recommendations

• Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
• Communications overlapping in fast multipole particle dynamics methods
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Cites work

• A fast algorithm for particle simulations
• Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
• scientific article; zbMATH DE number 41859 (Why is no real title available?)
• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 274379 (Why is no real title available?)
• On the fast multipole method for computing the energy of periodic assemblies of charged and dipolar particles

Cited in

(9)

• Algorithmic challenges in computational molecular biophysics
• An influence matrix particle-particle particle-mesh algorithm with exact particle-particle correction.
• Molecular simulations of electroosmotic flows in rough nanochannels
• HSMA: an O(N) electrostatics package implemented in LAMMPS
• Self-propelled jump regime in nanoscale droplet collisions: a molecular dynamics study
• Effective computer simulation of strongly coupled Coulomb fluids
• Porous media flow modeling from molecular simulations to pore-network modeling: physics-consistent upscaling of interfacial transport parameters
• Auxiliary field simulation and Coulomb's law
• A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: application to the 6-D torus QCDOC supercomputer

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