MD study of motion of C60 fullerene on graphene substrates with controllable ripples
The matlab codings of post processing which desinged to apply on the output (log files) of lammps simulations are provided. As well as the input and data files related to different temperatures, on three systems with controlled ripple amplitudes of substrates.
Ref: Mofidi, S. M.; Nejat Pishkenari, H.; Ejtehadi, M. R.; Akimov, A. V. Role of Graphene Surface Ripples and Thermal Vibrations in Molecular Dynamics of C60. J. Phys. Chem. C 2019, 123, 20026–20036.