In this work, we focus on the Volmer-Tafel pathway, acknowledging the possibility of coexisting mechanisms, and present an advanced dynamic computational framework to model the reaction energetics of this process. While revisiting the Volmer-Heyrovsky mechanism with a similar dynamic modeling approach is certainly of interest, it is beyond the scope of this study and would require separate, dedicated research. Irrespective of the prevalent mechanism, the initial proton electrosorption proceeds through the Volmer reaction in which a solvated proton [(H2O)n-H] + adsorbs to the electrode surface according to