posted on 2024-10-01, 12:07authored byOmid Shayestehpour, Stefan Zahn
The supplementary material include details of the first-principles molecular dynamics simulations, additional data on elemental contribution to the error distribution of the predicted atomic forces, coordination numbers of different species in their first solvation shell, computed self-diffusion coefficients from the Einstein equation, and additional velocity autocorrelation, radial/combined distribution functions.