Professor Musgrave's research is focused on the use of computational quantum mechanics and machine learning to investigate engineering processes at a fundamental level and discover new materials and chemical mechanisms. His work comprises a range of technologies including: catalysis to split water, catalytic reduction of CO2 to hydrocarbons, polymerization and photopolymerization, organic catalysts and photocatalysts, photo initiators, advanced battery technology, pseudocapacitors, photovoltaics, solar thermal hydrogen production, and atomic layer deposition. Professor Musgrave is known for pioneering applications of quantum chemical simulations within chemical engineering and is often the first to provide detailed and fundamental descriptions of many important processes including atomic layer deposition, nanotechnology, organic functionalization of semiconductors, CO2 reduction and other catalytic systems.
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computational materials science, computational chemistry, quantum chemistry, photovoltaics, energy storage, batteries, electrochemistry and electrocatalysis, catalysis, photocatalysis, photochemistry, machine learning, photo initiators, photopolymerization, solar fuels, renewable, water splitting, CO2 reduction, ammonia synthesis, fuels, electronic materials, thin film deposition, surface science, chemical kinetics, reaction mechanisms
