An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

DOI10.1016/J.JCP.2014.04.025zbMath1349.78087OpenAlexW2022121075MaRDI QIDQ349218

Mohammad Poursina, Kurt S. Anderson

Publication date: 5 December 2016

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2014.04.025

zbMATH Keywords

multibody dynamicsmolecular dynamicsfast multipole methodcoarse-grainingelectrostatic potential fieldfar-field interactions

Mathematics Subject Classification ID

Statistical mechanics of plasmas (82D10) General biology and biomathematics (92B05) Multipole methods applied to problems in optics and electromagnetic theory (78M16)

Related Items (1)

Optimization problem and efficient partitioning algorithm for transitions to finer-scale models in adaptive resolution simulation of articulated biopolymers

Uses Software

• AMBER

Cites Work

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