Workshop on Fast Algorithms for Long-Range Interactions
Workshop, Forschungszentrum Jülich, 7-8 April 2005
Start
7th April 2005 11:00 AM
End
8th April 2005 02:00 PM
Location
Forschungszentrum Jülich, ZAM, Rotunda
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
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
Paul Gibbon, ZAM, Forschungszentrum Jülich
Godehard Sutmann, ZAM, Forschungszentrum Jülich
Christian Holm, Frankfurt Institute for Advanced Studies ( FIAS ), Frankfurt
Inquiries to P.Gibbon@fz-juelich.de
Thursday, 7th April 2005
13:00 | Registration + Snack & Coffee Rotunda/JUMP Foyer, ZAM (Building 16.4) |
13:45 | Welcome Dr. Ruediger Esser, Deputy Director, ZAM |
14:00 | Espresso - Extensible Simulation Package for RESearch on SOft matter Dr. Christian Holm, Frankfurt Institute of Advanced Studies, University of Frankfurt |
14:30 | Electrostatics in partially periodic geometries: ELC, MMM2D and MMM1D Dr. Axel Arnold, Max Planck Institute for Polymer Research, Mainz |
15:00 | Errors in the Ewald method with electrostatic layer correction for a system with two-dimensional periodicity Prof. Aleksander Brodka, University of Silesia, Katowice, Poland |
15:30 | Coffee break |
16:00 | Molecular dynamics calculations of collisional effects in plasmas Nicolas David, Department of Physics, University of Oxford, UK |
16:30 | Towards an efficient and scalable implementation of PME on low-bandwidth Linux-clusters Dr. Carsten Kutzner, Max Planck Institute for Biophysical Chemistry, Goettingen |
17:00 | The Fast-Multipole Method Dr. Holger Dachsel, ZAM, Research Centre Jülich |
17:30 | Discussion |
18:00 | Transfer to Jülich hotels |
19:00 | Reception + Workshop Dinner Jülich town centre |
Friday, 8th April 2005
08:30 | Local Monte-Carlo for electrostatics Lucas Levrel, Ecole Supérieure de Physique et de Chimie Industrielles, Paris |
09:00 | Virial pressure of periodic systems with long-range forces Prof. Roland Winkler, Institut fuer Festkörperforschung, Research Centre Jülich |
09:30 | An O(N) particle-particle particle-multigrid method for calculating long-range interactions in molecular simulations Dr. Godehard Sutmann, ZAM, Research Centre Juelich |
10:00 | Coffee break |
10:30 | New innovations in the iterative particle-mesh technique Anthony Douanne, University of Savoie, Lyon, France |
11:00 | Parallel N-body codes, gravitational waves and black holes Prof. Rainer Spurzem, Astronomisches Recheninstitut, University of Heidelberg |
11:30 | Poster Session + Lunch |
14:00 | Making planets with trees Dr. Susanne Pfalzner, Physics Institute I, Theoretical Astrophysics Group, University of Cologne |
14:30 | Optimization and algorithmic improvements of cosmological tree codes Dr. Vincenzo Antonuccio, INAF - Catania Astrophysical Observatory, University of Catania, Italy |
15:00 | Scalability of a parallel tree code on JUMP, Linux clusters and BlueGene/L Dr. Paul Gibbon, ZAM, Research Centre Jülich |
15:30 | Closing discussion(s) |
16:00 | Departure |
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
The Workshop will be held at the
Forschungszentrum Jülich
Central Institute for Applied Mathematics
Rotunda