Treecode algorithms for computing nonbonded particle interactions

MaRDI QIDQ5457170zbMATH OpenFDO

Authors Robert Krasny, Zhong-Hui Duan

Publication date 14 April 2008

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to biology (92-04) Computational methods for problems pertaining to biology (92-08) Biophysics (92C05) Biochemistry, molecular biology (92C40)

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(9)

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• Treecode-accelerated Green iteration for Kohn-Sham density functional theory
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• Efficient implementation of the Barnes-Hut octree algorithm for Monte Carlo simulations of charged systems
• A treecode for potentials of the formr^−λ
• A particle method and adaptive treecode for vortex sheet motion in three-dimensional flow
• Cyclically parallelized treecode for fast computations of electrostatic interactions on molecular surfaces
• DEM simulations of toner particles with an O(N N) hierarchical tree code algorithm
• A treecode algorithm for simulating electron dynamics in a Penning-Malmberg trap

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