lammps/examples/reax/Fluorographenec7183e199aadmaster
lammps/examples/reax/Fluorographene
c7183e199aadmaster
Fluorographene
Fluorographene
README
README
Disclaimer: Using these force fields for systems they have not been explicitly trained against may produce unrealistic results. Please see the README file in each subdirectory for more detailed information.
F/C/H
The follow information is reproduced from: "C_F_H (Fluorographene): Sandeep Kumar Singh, S. Goverapet Srinivasan, M. Neek-Amal, S. Costamagna, Adri C. T. van Duin, and F. M. Peeters Phys. Rev. B 87, 104114 (2013)." - The ReaxFF force field parameters have been fit to a large quantum mechanics (QM) training set containing monolayer of fluorographene at various temperature.
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