Siahrostami joined the University of Calgary as an assistant professor in 2018, and was promoted to associate professor in 2022. Her research involves computational chemistry for the design of new catalyst materials. Specifically, she studies the oxygen reduction reaction and the carbon dioxide reduction reaction. The oxygen reduction reaction limits the efficiency of fuel cells. Siahrostami hopes that her simulations can provide insight about the active sites for oxygen reduction, helping to develop new, more efficient cathode materials. The carbon dioxide reduction reaction offers hope for carbon dioxide mitigation, as well as providing a new strategy to produce chemicals and fuels. Siahrostami makes use of carbon-based nanomaterials for carbon dioxide reduction reaction catalysis. Some of the catalysts that she has predicted computationally have since been commercialised.
Alongside reduction reactions, Siahrostami is interested in hydrogen: both the synthesis of hydrogen peroxide for water purification and the production of clean hydrogen.