Computer Technology Journal
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High Performance Computing
Research results from University of Tennessee update knowledge of high performance computing
September 4th, 2008
"The fast multipole method (FMM) is an efficient algorithm for calculating electrostatic interactions in molecular simulations and a promising alternative to Ewald summation methods," scientists in the United States report.
"Translation of multipole expansion in spherical harmonics is the most important operation of the fast multipole method and the fast Fourier transform (FFT) acceleration of this operation is among the fastest methods of improving its performance. The technique relies on highly optimized implementation of fast Fourier transform routines for the desired expansion sizes, which need to incorporate the knowledge of symmetries and zero elements in the input...
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Source: Computer Technology Journal (2008-09-04)