Diffusion of CO on ASW. Panel A: Two-dimensional projection of CO interaction energy and diffusion path onto the ASW y − z plane from a simulation of 30 ns in length at 50 K. Panel B: One-dimensional projection of the path followed with some of the minima visited in panel A labeled with corresponding numbers. Between minima 15 and 17, the adsorbant repeatedly visits minima 8 to 17. The average diffusion barrier height is 1.15 kcal/mol compared with a range from 0.25 kcal/mol to 1.85 kcal/mol from experiments (Acharyya 2022; Karssemeijer & Cuppen 2014)