We present an implementation of the fast multipole method for computing Coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected O(N) scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation ...

Vortex particle methods, when combined with multipole-accelerated boundary element methods (BEM), become a complete tool for direct numerical simulation (DNS) of internal or external vortex-dominated flows. In previous work, we presented a method to accelerate the vorticity-velocity inversion at the heart of vortex particle methods by performing a multipole treecode N-body method on parallel gr...

The purpose of this study is to investigate the acoustic performance of mufflers. As a numerical scheme for analyzing an acoustic filter, the boundary element method is more suitable than are domain methods, such as the finite element method, which has to mesh the domain. However, the coefficient matrices established by the boundary element method are full and often non-symmetrical. In order to...

This paper presents a number of algorithms to run the fast multipole method (FMM) on NVIDIA CUDAcapable graphical processing units (GPUs) (Nvidia Corporation, Sta. Clara, CA, USA). The FMM is a class of methods to compute pairwise interactions between N particles for a given error tolerance and with computational cost of O.N /. The methods described in the paper are applicable to any FMMs in wh...