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Uncertainty estimation by committee models for molecular dynamics and thermodynamic averages.
Giulio Imbalzano
Yongbin Zhuang
Venkat Kapil
Kevin Rossi
Edgar A. Engel
Federico Grasselli
Michele Ceriotti
Published in:
CoRR (2020)
Keyphrases
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molecular dynamics
experimental data
database systems
management system
motion estimation
distributed systems