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MPI-I-97-1-003

Parallel algorithms for MD-simulations of synthetic polymers

Jung, Bernd and Lenhof, Hans-Peter and Müller, Peter and Rüb, Christine

MPI-I-97-1-003. January 1997, 32 pages. | Status: available - back from printing | Next --> Entry | Previous <-- Entry

Abstract in LaTeX format:
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.
Acknowledgement:
References to related material:

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Hide details for BibTeXBibTeX
@TECHREPORT{JungLenhofMüllerRüb97,
  AUTHOR = {Jung, Bernd and Lenhof, Hans-Peter and M{\"u}ller, Peter and R{\"u}b, Christine},
  TITLE = {Parallel algorithms for MD-simulations of synthetic polymers},
  TYPE = {Research Report},
  INSTITUTION = {Max-Planck-Institut f{\"u}r Informatik},
  ADDRESS = {Im Stadtwald, D-66123 Saarbr{\"u}cken, Germany},
  NUMBER = {MPI-I-97-1-003},
  MONTH = {January},
  YEAR = {1997},
  ISSN = {0946-011X},
}