In order to validate the numerical procedure, the NMR relaxation time T 1 was calculated for a bulk water solution having five different temperatures ranging from 10 to 30 • C. Our results show an increase of T 1 with increasing temperature, in good agreement with experimental results from Refs. (Fig. ). The increasing relaxation time results from the comparatively faster molecular motion (i.e., lower viscosity) at higher temperatures. Our MD results show a slightly slower increase of T 1 with T than experimental data, resulting in a value of T 1 that is underestimated by about 5 % compared to the experimental values at T = 30 • C. This slight underestimation cam be attributed to the known small discrepancy between the viscous behavior of the employed TIP4P/ water model and experiments . We also performed MRI measurements at T = 20 • C shown as red data in Fig. . The value of T 1 measured using MRI is slightly larger than the results from Refs. , and differs by about 5 % from our MD result. From the MD simulations we also evaluate the translational diffusion coefficient D T = 4r 2 Stokes /(5τ T ), where r Stokes = 1 Å is the Stokes radius of a water molecules and τ T the correlation time calculated as . The corresponding simulation results for D T are in good agreement with experimental data from Refs. , as well as with simulation results from Refs. (Fig. ). Note, that D T values agree well with the diffusion coefficient calculated from the mean square displacement, D MSD , shown in Fig. , while being slightly larger at the lower temperatures, where the difference for the lowest temperature considered here is about 20 %.