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Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.110173
Abstract: Abstract Molecular dynamics (MD) simulation is an important tool to understand the physical and chemical properties of cement hydrates at the atomic level. MD with the machine learning potential (MLP) is considered a promising approach…
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Keywords:
machine learning;
potentials tobermorite;
tobermorite minerals;
mlp ... See more keywords