Some helpful models for the final project

There are two models that may be useful for developing simple models in your final project.

One is the screened Coulomb potential, which is a very simple, approximate pairwise potential for reproducing electrostatic interactions that does not require a special treatment of the long-range interactions (e.g., the Ewald summation).

The other is the Lennard-Jones wall or surface potential, which is used to approximate the net interaction of an atom with an infinitely wide and deep surface of uniform density.

Both of these have now been added to the lecture notes on classical force fields. You can find the equations for the energy functions there.

MSS