[denhaus]

it depends on if you’re looking for an accurate calculation of atoms and the number of atoms. if you’re just interested in how a lattice of spheres interact, force field software might be your best bet. if you’re interested in electronic properties of real materials you will need higher levels of theory such as DFT or beyond

[drojas]

The subject I am studying is not atoms but perhaps it is similar so I think I can start with force field software and see if it works for my use case. Thanks!