Supplementary Data for Paper Entitled "Acid-base dissociation mechanisms and energetics at the silica–water interface: an activationless process" 1. Publication Submission Contents includes the publication (lyx document) and images in respective subfolders. 2. XYZ animations includes .xyz file-format trajectories showing the geometry optimisations from the paper 3. Raw Data archive provides raw data used in simulations (input files and output files <5Mb)