I need to make a prediction about orientativeness of fullerene derivatives
on gold surface under electric field in my undergraduate work.
Partial charges of molecules are known. The size of each molecule ≈ 1 nm.
Also, these molecules have high dipole moment(~10D).
Thus, I suppose that I need to create an appropriate distribution of charges in the metal which
will change over time.
Is it possible in lammps?
If yes, which packages do I need?
Should I try to simulate such a system on my 1.8 GHz laptop?