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Towards General-Purpose Long-Timescale Molecular Dynamics Simulation on Exascale Supercomputers with Data Processing Units.
Matea Turalija
Milan Petrovic
Bozidar Kovacic
Published in:
MIPRO (2022)
Keyphrases
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general purpose
high performance computing
molecular dynamics
processing units
parallel computing
training data
data processing
computing resources
data analysis
computer systems
data collection
fine grained
sensor data
coarse grained
heterogeneous systems