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Parallel implementation of the replica exchange molecular dynamics algorithm on Blue Gene/L.
Maria Eleftheriou
Aleksandr Rayshubskiy
Jed W. Pitera
Blake G. Fitch
Ruhong Zhou
Robert S. Germain
Published in:
IPDPS (2006)
Keyphrases
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parallel implementation
molecular dynamics
theoretical analysis
parallel computation
database
np hard
message passing interface
parallel implementations
data warehouse