Section: New Results

A Fast Multipole Method for Geometric Numerical Integrations of Hamiltonian Systems

Participants : Philippe Chartier, Erwan Faou, Eric Darrigrand.

The Fast Multipole Method (FMM) has been widely developed and studied for the evaluation of Coulomb energy and Coulomb forces. A major problem occurs when the FMM is applied to approximate the Coulomb energy and Coulomb energy gradient within geometric numerical integrations of Hamiltonian systems considered for solving astronomy or molecular-dynamics problems: The FMM approximation involves an approximated potential which is not regular. Its lack of regularity implies a loss of the preservation of the Hamiltonian of the system. In [14] , we contributed to a significant improvement of the FMM with regard to this problem : we investigated a regularization of the Fast Multipole Method in order to recover Hamiltonian preservation. Numerical results obtained on a toy problem confirm the gain of such a regularization of the fast method.