Short Pre History of Ionic Liquid Simulations

Note that velocities are not required for MC because atomic positions are changed randomly. If the positions and velocities of the atoms are advanced deterministically, we call the method molecular dynamics, or MD. MD refies upon numerical integration of the classical equations of motion and, hence, requires that forces (gradients of the potential energy) be known. Since any numerical procedure is approximate, the trajectories that result from an MD simulation are technically only pseudodeterministic. This is a detail that we 

One of the earliest functional forms used to model alkali halides is due to Huggins and Mayer. They modeled the electrostatic interactions between ions by placing formal charges 7, on each atom center. Short-range repulsive interactions were modeled with an exponential function, and long-range attractive interactions with two terms representing dipole-dipole and dipole- 

---