Introduction to the Fast Multipole Method: Topics in Computational Biophysics, Theory, and Implementation

1st Edition

Victor Anisimov, James J.P. Stewart

CRC Press
December 18, 2019 Forthcoming
Reference - 456 Pages - 73 B/W Illustrations
ISBN 9781439839058 - CAT# K11777

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This book introduces the reader to the theory and computer implementation of the Fast Multipole Method. It covers the topics of Laplace’s equation, spherical harmonics, angular momentum, the Wigner matrix, the addition theorem for solid harmonics, and lattice sums for periodic boundary conditions, along with providing a complete, self-contained explanation of the math of the method, so that anyone having an undergraduate grasp of calculus should be able to follow the material presented. The authors derive the Fast Multipole Method from first principles and systematically construct the theory connecting all the parts.

Key Features:

  • Introduces each topic from first principles
  • Derives every equation presented, and explains each step in its derivation
  • Builds the necessary theory in order to understand, develop, and use the method
  • Describes the conversion from theory to computer implementation
  • Guides through code optimization and parallelization

Autho Biography

Victor Anisimov is an Application Performance Engineer at the Argonne National Laboratory

James J. P. Stewart is the author of the MOPAC program developed by Stewart Computational Chemistry, LLC