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Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations

Crossref DOI link: https://doi.org/10.1016/j.commatsci.2017.07.009

Published Print: 2017-10

Update policy: https://doi.org/10.1016/elsevier_cm_policy

Authors

Mutisya, Sylvia M.

de Almeida, James M.

Miranda, Caetano R.
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Article Title: Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations

Journal Title: Computational Materials Science

CrossRef DOI link to publisher maintained version: https://doi.org/10.1016/j.commatsci.2017.07.009

Content Type: article

Copyright: © 2017 Elsevier B.V. All rights reserved.