Towards ab initio molecular dynamics simulations of proton and electron transfer processes. Electrochemical technologies seek design capabilities to enable the discovery of novel electrolytes with valuable properties. This project will develop new advanced computational methods to understand electron and proton transfer in electrolytes and thereby allow us to enhance performance of electrochemical devices and control metal deposition.
Non-precious fuel cell cathode catalysts from carbon-based nanohybrids: a computational to experimental quest. This joint computational-experimental project will address significant problems including high cost, limited availability and poor performance in traditional platinum-based fuel cell technology. The outcomes are expected to help address global energy problems through the development of inexpensive fuel cell catalysts based on carbon nanohybrids.