FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

Revision of FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

RECFMM: Recursive Parallelization of the Adaptive Fast Multipole Method for Coulomb and Screened Coulomb Interactions

We present RECFMM, a program representation and implementation of a recursive scheme for parallelizing the adaptive fast multipole method (FMM) on sharedmemory computers. It achieves remarkable high performance while maintaining mathematical clarity and flexibility. The parallelization scheme signifies the recursion feature that is intrinsic to the FMM but was not well exploited. The program mo...

Fast Multipole Method Using Cartesian Tensor in Beam Dynamic Simulation

The fast multipole method (FMM) using traceless totally symmetric Cartesian tensor to calculate the Coulomb interaction between charged particles will be presented. The Cartesian tensor based FMM can be generalized to treat other non-oscillating interactions with the help of the differential algebra or the truncated power series algebra. Issues on implementation of the FMM in beam dynamic simul...

A New Adaptive Algorithm for the Fast Multipole Boundary Element Method

A new definition of the interaction list in the fast multipole method (FMM) is introduced in this paper, which can reduce the moment-to-local (M2L) translations by about 30-40% and therefore improve the efficiency for the FMM. In addition, an adaptive tree structure is investigated, which is potentially more efficient than the oct-tree structure for thin and slender domains as in the case of mi...

A new molecular dynamics method combining the reference system propagator algorithm with a fast multipole method for simulating proteins and other complex systems

An efficient molecular dynamics ~MD! algorithm is presented in this paper for biomolecular systems, which incorporates a novel variation on the fast multipole method ~FMM! coupled to the reversible reference system propagator algorithm ~r-RESPA!. A top-down FMM is proposed which calculates multipoles recursively from the top of the box tree instead of from the bottom in Greengard’s original FMM...