) is then utilized to compare the hydrogen bond dynamics. The probability distributions derived from the Markov matrices match well with the original distributions (Figure ). To streamline and minimize complexity, we focus solely on comparing the DPMD and SPC/Fw models in this section. While there is significance in comparing the DPMD model with TIP4P/ε, the observations align closely with those from the SPC/Fw model. The alignment between the SPC/Fw and TIP4P/ε models is discernible in Figure and. Since the transition processes are modeled as first-order reactions, we can express the rate constants for each reaction as k ij = m i,j /∆t where m i,j is the number of transitions from state i to state j during the time step ∆t. Assuming that transitions are one-step reactions with well-defined transition states, we arrive at the Eyring-Polanyi-like expression, which is given as