The water plays a key role as solvent or reagent in several electrochemical processes, such as electrolysis, corrosion, and electro catalysis. Thus, the microscopic understanding of the kinetic behavior and reactions that occur in water/metal interface is a must.

In this work we propose a new polarizable classical force field with polarization data obtained from QM and QM/MM calculations in order to account for the charge redistribution at the water/metal interface.

The induced charge effects are described by the addition of dipoles to the system topology following the Rod Model.

The proposed model was evaluated and validated for water/Pd(111) systems, being our results in a good agreement with the QM results and experimental information available in the literature for the Pd(111)/water systems at low temperature.