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Machine learning surrogates for molecular dynamics simulations of soft materials.
J. C. S. Kadupitiya
Fanbo Sun
Geoffrey C. Fox
Vikram Jadhao
Published in:
J. Comput. Sci. (2020)
Keyphrases
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machine learning
molecular dynamics simulations
molecular dynamics
machine learning methods
data mining
computer vision
reinforcement learning
database
artificial intelligence
data analysis
text classification
active learning
semi supervised learning
parallel algorithm