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. 2022 Mar 9;12(6):903. doi: 10.3390/nano12060903
vdW van der Waals
MD molecular dynamics
GS graphene sheet
LAMMPS large-scale atomic/molecular massively parallel simulator
AIREBO adaptive intermolecular reactive empirical bond-order
LJ Lennard Jones
CG conjugate gradient
LPSO long-period stacking ordered