A treecode based on barycentric Hermite interpolation for electrostatic particle interactions

• Main Authors: Krasny Robert, Wang Lei
• Format: Article
• Language: English
• Published: De Gruyter 2019-12-01
• Series: Computational and Mathematical Biophysics
• Subjects: treecode; barycentric hermite interpolation; electrostatic particle interactions; 65b99; 65d05; 65y20; 65z05
• Online Access: https://doi.org/10.1515/cmb-2019-0006

A particle-cluster treecode based on barycentric Hermite interpolation is presented for fast summation of electrostatic particle interactions in 3D. The interpolation nodes are Chebyshev points of the 2nd kind in each cluster. It is noted that barycentric Hermite interpolation is scale-invariant in a certain sense that promotes the treecode’s efficiency. Numerical results for the Coulomb and screened Coulomb potentials show that the treecode run time scales like O(N log N), where N is the number of particles in the system. The advantage of the barycentric Hermite treecode is demonstrated in comparison with treecodes based on Taylor approximation and barycentric Lagrange interpolation.