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training of reactive molecular-dynamics force fields.
Ho Ching Cheng
Pankaj Rajak
Chunyang Sheng
Rajiv K. Kalia
Aiichiro Nakano
Priya Vashishta
Published in:
SpringSim (HPS) (2016)
Keyphrases
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molecular dynamics
computer vision
training set
molecular dynamics simulations
scientific data
high performance computing
fluid flow
databases
data mining
information systems
database systems
numerical simulations
protein folding