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Increasing molecular dynamics simulation rates with an 8-fold increase in electrical power efficiency.
W. Michael Brown
Andrey Semin
Michael Hebenstreit
Sergey Khvostov
Karthik Raman
Steven J. Plimpton
Published in:
SC (2016)
Keyphrases
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molecular dynamics
molecular dynamics simulations
electrical power
scientific data
high performance computing
protein folding
power system
fluid flow
machine learning
expert systems
data management
mathematical model
steady state
numerical simulations