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Le prochain séminaire EMC2 sera donné par Igor Chollet (Université Sorbonne Paris-Nord) le lundi 16 décembre à 14h en salle 15-16-201 (/!\ salle inhabituelle /!\). Le titre et le résumé sont à retrouver en-dessous. Meilleures salutations, Mi-Song & Emmanuel ———————————————————————————— Title: Fast Interpolated Ewald Strategy Abstract: Evaluation of electrostatic interactions over large atom sets usually numerically relies on accelerated Ewald summations based on Fast Fourier Transforms (FFTs). On distributed memory computing architectures, these methods can be a bottleneck for molecular dynamic simulations due to the cost of communication between separated processes. In this talk, we will present a hierarchical alternative to FFT-based approaches that overcomes this limitation while preserving a linear or linearithmic evaluation cost. We shall first present hierarchical methods for N-body problems, then we will discuss their use for accelerating an interpolated version of Ewald summation.