Electrochemistry is crucial for the transition to a sustainable society, opening pathways for green fuels production, eco-friendly energy storage and CO2-neutral synthesis of commodity-chemicals. The accurate modelling of electrocatalytic processes under realistic conditions sheds light on the mechanisms that rule the activity, selectivity, and stability of a catalyst, toward the design of novel materials with improved performances.

Ab initio calculations offer unique insights on reaction mechanisms and material properties, enabling the definition of simple yet complete models for electrochemical cells. Electrolyte effects such as concentration of species and their mass transport can be assessed through dedicated numerical multiphysics methods. Finally, machine-learning algorithms promise to facilitate the exploration of catalysts’ properties over larger time-, length-, and chemical spaces.

This symposium will foster a multi-disciplinary and collaborative environment, bridging the atomistic scale till the industrially relevant ones and encouraging the circulation of novel ideas and recent milestones in the theory and modelling of electrochemical processes.

To this end, established and emerging leaders in the development of methods for the accurate modelling of electrochemical reactions, solid- liquid electrified interfaces and solute-solvent interactions will present their latest research achievements. Young researchers' active participation will be also fostered through dedicated oral and poster contributions spots.