Fig. 2.

The materials systems studied here. Systems A1 to A13 focus on the qualitative benefits of using iMD-VR and the descriptions can be found in the SI. Systems B14 and B15 focus on more quantitative uses of iMD-VR and are explored in the results and discussion section. From A1 to B15 the systems are: liquid argon, single point charge (SPC) water, a potassium ion in SPC water, potassium and valinomycin, potassium chloride, formic acid on a calcite surface, silver iodide, zirconia, graphene, a carbon nanotube switch, benzene in ZSM-5 zeolite, a barium oxide pair on a barium oxide surface, lithium oxide, methyl n-hexanoate in HZSM-5 zeolite.