Alloy nanoparticles are promising materials for use as advanced catalysts that increase the energy efficiency of chemical processes at relatively low cost. It is possible to modify the performance of alloy nanoparticle catalysts by adjusting their size, shape, atomic structure, and chemical composition. The project takes advantage of this flexibility. The team create computational models that are able to accurately predict how the conditions under which nanoparticles are made affect their catalytic performance. These models are refined and validated by iterative comparisons with experimental results. As a proof of concept, this approach is being used to design catalysts that facilitate the conversion of carbon dioxide into hydrocarbon fuels. The conversion of carbon dioxide into fuels could simultaneously increase global fuel supply and reduce the amount of carbon dioxide in the atmosphere; but it is not yet economically viable due to the lack of suitable catalysts. This research is integrated with a comprehensive educational outreach program that includes research opportunities for a female high school student, a workshop on energy technologies, and a new course on renewable energy technologies at Johns Hopkins University.