Workshop: Molecular Dynamics on Parallel Computers 1999

Workshop, 8 - 10 February 1999, Forschungszentrum Jülich

Scope of the Workshop

Workshop, 8 - 10 February 1999, Forschungszentrum Jülich

Molecular dynamics simulation is a well-established technique for modeling complex many-particle systems in diverse areas of physics and chemistry . The computational requirements of simulations of large systems, especially when taking into account long-range interactions, are enormous. They make the use of high-performance parallel computers indispensable and have led to the development of a broad range of advanced algorithms for these machines. There is, however, still a long way to go in order to simulate realistic systems over time scales of typical physical, chemical, and biological processes. Therefore, this workshop brings together researchers from different areas of science, who develop and apply the methodology of molecular dynamics, in order to discuss recent advances and to exchange experiences and ideas. Besides the presentation of the physical background and results of the manifold simulations, special emphasis is put on the discussion of the relevant algorithms and their adaptation to massively parallel computers.

The following areas are covered:

• Algorithms
• Astrophysics
• Biochemistry
• Granular Materials
• Lattice Gauge Theory
• Liquids
• Polymers
• Solid State Physics

This is the first conference organized by the John von Neumann Institute for Computing (NIC) which was recently founded by Research Centre Jülich and the German Electron Synchrotron (DESY). Similar to its predecessor, the Höchstleistungsrechenzentrum (HLRZ), NIC aims to promote high-performance scientific computing by improving the methods, tools and applications in its own Research Groups and by giving the research community access to state-of-the-art high-performance computers provided by NIC through its Central Institute for Applied Mathematics in Jülich and the Center for Parallel Computing, DESY Zeuthen. Molecular dynamics simulation is a typical example of the interdisciplinary research that has been carried out in the framework of HLRZ and is the subject of projects within NIC as well. A large portion of the research presented at the workshop originates from the NIC Research Groups and from projects which have used the supercomputing facilities provided by NIC.

Proceedings

Molecular Dynamics on Parallel Computers
Workshop at Forschungszentrum Jülich, 8 - 10 February 1999
edited by Rüdiger Esser, Peter Grassberger, Johannes Grotendorst, Marius Lewerenz
World Scientific, February 2000, ISBN 981-02-4232-8
http://www.worldscientific.com/worldscibooks/10.1142/4353