Ewald summation techniques in perspective: A survey

DOI10.1016/0010-4655(96)00016-1zbMath0923.65090OpenAlexW1981045787MaRDI QIDQ1282934

Abdulnour Y. Toukmaji, John A. jun. Board

Publication date: 3 August 1999

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

Full work available at URL: https://doi.org/10.1016/0010-4655(96)00016-1

zbMATH Keywords

algorithmsproteinsperiodic boundary conditionscomputational efficiencymolecular dynamicsmembranesEwald summationbiological systemsfast multipole algorithmDNA strandsenzymesparticle-mesh algorithmslarge macromolecular systems

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Protein sequences, DNA sequences (92D20) PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05) Molecular physics (81V55) Complexity and performance of numerical algorithms (65Y20)

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