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Research Project
The quantitative and predictive description of electrochemical processes ranging from biological catalysis to the operation of batteries is a frontier challenge in chemistry, materials science and engineering. The difficulty of accurately modeling such systems stems from their broad length and time scales, as well as the complex and heterogeneous nature of their constituents. These challenges have necessitated the use of continuum theories or semiempirical microscopic approaches to the description of the electronic structure and nuclear dynamics of electrochemical processes.&nbs