This project is studying how to make new, precisely defined metal alloy catalysts. The chemical industry relies on inexpensive and re-usable catalysts to convert chemical feedstock into viable products. In addition, reducing harmful byproducts in combustion processes (e.g. carbon dioxide and carbon monoxide) also requires inexpensive and re-usable catalysts, such as those found in a catalytic converter of an automobile. Gold-based catalysts at the size of a few nanometers in diameter are proven to be very efficient in many chemically converting processes; however, they are expensive particularly, as the price of gold continues to increase over time. Mixing in other less expensive metal constituents, such as copper, would drive down the cost and possibly increase activity in some cases, but the scientific challenge is to determine how to add in such metals without losing the efficiency and stability of the catalyst. Computational searching algorithms are being developed to assist the materials development of catalysts of gold mixed with other metals. The proposed research will continue to impact energy technologies that are currently being pursued by experienced researchers at the National Energy Technology Laboratory.