John Hymel, Georgia Tech | Renewable Energy Generation and Storage

Computational electrosynthesis in the double layer: The electrochemical interface is where the rubber meets the road when it comes to electrochemical reactions, and possibly the place where future plastics will be synthesized. We seek to understand how solvent effects in the electrochemical double layer can lead to selectivity in organic electrosynthesis reactions. Using hybrid quantum/classical simulations, we can see exactly what happens to molecules in this complex environment. Contributors: John Hymel, Jesse McDaniel