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DOE OSTI · 1615688

Active learning a coarse-grained neural network model for bulk water from sparse training data

Abstract

Active learning scheme to train neural network potentials for molecular simulations.

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BibTeXRIS

Loeffler, Troy D., Patra, Tarak K., Chan, Henry, Sankaranarayanan, Subramanian K. R. S.. 2020-06-15. Active learning a coarse-grained neural network model for bulk water from sparse training data. https://doi.org/10.1039/c9me00184k

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