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Workshop on Fast Algorithms for Long-Range Interactions

Forschungszentrum Jülich
7 - 8 April 2005

jointly organized by
John von Neumann Institute for Computing
Central Institute for Applied Mathematics
FIAS - Frankfurt Institute for Advanced Studies, University of Frankfurt

Scope | Programme | Posters


The aim of the workshop is to bring together people from different disciplines whose research involves the development or application of so-called 'fast Coulomb solvers' - algorithms designed to overcome the O(N2) bottleneck of many-particle systems dominated by classical long-range interactions. These techniques - in particular the fast multipole method, tree codes and advanced mesh-based methods - are becoming increasingly popular in their 'home' research fields, but there are currently few opportunities to exchange ideas and experiences with workers using one of these algorithms in a different scientific context.

The workshop will provide an informal, interdisciplinary forum open to participants from any area of computational science (e.g. astrophysics, physical & quantum chemistry, biophysics, plasma physics or applied mathematics) with an active and/or keen interest in modern 'long-range' methods. The workshop aims to address all aspects of fast N-body algorithms for both static and dynamic problems and will include topics such as:

  • algorithms

    • FMM
    • tree-codes
    • particle-particle/particle-mesh (P3M)
    • particle-mesh-Ewald (PME)
    • multigrid
  • precision/accuracy issues
  • scaling with problem size: O(N) vs. O(NlogN).
  • adaptability: complex geometries; homogeneity
  • benchmarking: algorithm comparison
  • parallelization

Scientific Committee

Paul Gibbon, ZAM, Forschungszentrum Jülich
Godehard Sutmann, ZAM, Forschungszentrum Jülich
Christian Holm, Frankfurt Institute for Advanced Studies ( FIAS ), Frankfurt

Inquiries to


The Workshop will be held at the
Forschungszentrum Jülich
Central Institute for Applied Mathematics


Thursday 7th April 2005

13:00Registration + Snack & Coffee
Rotunda/JUMP Foyer, ZAM (Building 16.4)
Dr. Ruediger Esser, Deputy Director, ZAM
14:00Espresso - Extensible Simulation Package for RESearch on SOft matter
Dr. Christian Holm, Frankfurt Institute of Advanced Studies, University of Frankfurt
14:30Electrostatics in partially periodic geometries: ELC, MMM2D and MMM1D
Dr. Axel Arnold, Max Planck Institute for Polymer Research, Mainz
15:00Errors in the Ewald method with electrostatic layer correction for a system with two-dimensional periodicity
Prof. Aleksander Brodka, University of Silesia, Katowice, Poland
15:30Coffee break
16:00Molecular dynamics calculations of collisional effects in plasmas
Nicolas David, Department of Physics, University of Oxford, UK
16:30Towards an efficient and scalable implementation of PME on low-bandwidth Linux-clusters
Dr. Carsten Kutzner, Max Planck Institute for Biophysical Chemistry, Goettingen

The Fast-Multipole Method

Dr. Holger Dachsel, ZAM, Research Centre Jülich

18:00Transfer to Jülich hotels
19:00Reception + Workshop Dinner
Jülich town centre


Friday 8th April 2005

08:30Local Monte-Carlo for electrostatics
Lucas Levrel, Ecole Supérieure de Physique et de Chimie Industrielles, Paris
09:00Virial pressure of periodic systems with long-range forces
Prof. Roland Winkler, Institut fuer Festkörperforschung, Research Centre Jülich
09:30An O(N) particle-particle particle-multigrid method for calculating long-range interactions in molecular simulations
Dr. Godehard Sutmann, ZAM, Research Centre Juelich
10:00Coffee break
10:30New innovations in the iterative particle-mesh technique
Anthony Douanne, University of Savoie, Lyon, France
11:00Parallel N-body codes, gravitational waves and black holes
Prof. Rainer Spurzem, Astronomisches Recheninstitut, University of Heidelberg
11:30Poster Session + Lunch
14:00Making planets with trees
Dr. Susanne Pfalzner, Physics Institute I, Theoretical Astrophysics Group, University of Cologne
14:30Optimization and algorithmic improvements of cosmological tree codes
Dr. Vincenzo Antonuccio, INAF - Catania Astrophysical Observatory, University of Catania, Italy
15:00Scalability of a parallel tree code on JUMP, Linux clusters and BlueGene/L
Dr. Paul Gibbon, ZAM, Research Centre Jülich
15:30Closing discussion(s)


Tree code simulation of clusters in intense laser fields
Ludwig Arndt, Laser Physics Group, RWTH Aachen

Local molecular dynamics for Coulomb interactions
Igor Pasichnyk, Max Planck Institute for Complex Systems, Dresden

Monte Carlo simulations of rod-like polyelectrolytes
Hossien Fazli, Institute for Advanced Studies in Basic Sciences, Iran

Star-disc encounters in the Orion Nebula Cluster (ONC)
Christoph Olczak, Physics Institute I, Theoretical Astrophysics Group, U. Cologne

A Particle-Wavelet-Mesh method for Coulomb Interactions
Silke Wädow, ZAM, Research Centre Jülich

Structure and properties of nano-structured vanadium (V) oxide
Dr. Thomas Mueller, ZAM, Research Centre Jülich

Online visualization of particle simulations with xnbody
Sonja Dominiczak, ZAM, Research Centre Jülich