The inorganic crystals I have in mind contain cations like calcium, magnesium, zinc or iron and anions like chloride, bromide and sulphate. As I am interested in hydrated versions of these crystals the interaction between water and the ions is critical. As an outsider I find it hard to judge the quality of the chosen simulation approaches in the literature. So, I am looking for critical surveys of potentials for these systems.

More H. P. Huinink's questions See All
Similar questions and discussions