Figure 2.

Panel A: The stationary distribution p(n) of the number of water molecules in the hydration shell of radius r = 3.2 Å of a reference water molecule. Panel B: The dependence of the ensemble average of change in water occupancy number Δ = ⟨|n(t + dt) – n(t)|⟩ on the Lagrange multiplier γ. We see that Δ depends exponentially on γ. A higher γ implies slower dynamics and vice versa. We choose γ = 3.29 to match the observed Δ ≈ 0.0629 in the molecular dynamics simulation.