My research uses computational materials modeling to develop new materials for energy storage and generation. The aim of using theoretical tools in this area is to accelerate experimental progress on problems where the search space of materials contains thousands or millions of possibilities.  By working with a wide range of experimental partners in academia and industry, my group is helping to develop practical solutions to the immense energy-related challenges that will confront our global society for decades to come.

To develop new materials and processes that contribute to sustainable energy use on the relevant global scales:  gigawatts of energy and gigatons of reductions in carbon emissions

We have developed quantitatively accurate computational methods that we have used to predict the suitability of millions of hydride mixtures for hydrogen storage in vehicles powered by fuel cells.  Many of the best materials are now being tested experimentally by groups around the world. We are adapting the same methods to screen the enormous numbers of metal alloys that can be considered as membranes for purifying hydrogen and nanoporous materials that can be used as membranes to purify gas mixtures involving carbon dioxide.

Georgia Tech and other universities in the state have an extraordinary set of people with the interdisciplinary interests and orientation towards practical technologies to seriously tackle the broad spectrum of ideas that is required to solve what sometimes seem like intractable energy-related challenges.  Noone can tackle global-sized problems alone, so the opportunity to include my group within larger efforts here was a wonderful one.