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LAMMPS ReaxFF potential for Ca-Si-O-H systems developed by Manzano et al. (2012) v000
https://doi.org/10.25950/af9b5456
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This is a ReaxFF potential for cement based material parameterized by H.Manzano and coworkers at MIT in 2012.
KIM ID:
SM_714124634215_000
Extended KIM ID:
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
Hegoi Manzano
Sina Moeini
Francis Marinelli
Adri van Duin
Franz-Josef Ulm
Roland Pellenq
I Nikiforov
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OpenKIM
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DOI registered
November 9, 2022
via DataCite
Software published 2022 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software