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Abstract:
Molecular dynamics simulation has become an important tool for testing
and developing hypotheses about chemical and physical processes. Since
the required amount of computing power is tremendous there is a strong
interest in parallel algorithms. We deal with efficient algorithms on
MIMD computers for
a special class of macromolecules, namely synthetic polymers, which play
a very important role in industry. This makes it worthwhile to design
fast parallel algorithms specifically for them. Contrary to existing
parallel algorithms, our algorithms take the structure of synthetic
polymers into account which allows faster simulation of their dynamics.
