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

DOI10.1080/08927029808022044zbMath0961.81500OpenAlexW2091730556MaRDI QIDQ4512776

Simon W. De Leeuw, J. V. L. Beckers, C. P. Lowe

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

parallel algorithmsmolecular simulationEwald summationCoulomb interactionelectrostatic interactionparticle-particle particle mesh

Mathematics Subject Classification ID

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

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Cites Work

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• Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
• A fast algorithm for particle simulations