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Publications in VIVO

Musgrave, Charles Bruce Professor and Robert H. Davis Endowed Professor


Research Areas research areas


research overview

  • 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, singlet fission for carrier multiplication in organic photovoltaics, CO2 reduction and other catalytic systems.


  • computational materials science, computational chemistry, quantum chemistry, photovoltaics, energy storage, catalysis, photocatalysis, photochemistry, machine learning, photo initiators, photopolymerization, solar fuels, renewable, water splitting, CO2 reduction, fuels, electronic materials, thin film deposition, surface science, chemical kinetics, reaction mechanisms


selected publications


courses taught

  • CHEM 6901 - Research in Chemistry
    Primary Instructor - Spring 2018 / Fall 2018 / Spring 2019 / Spring 2020
    May be repeated up to 15 total credit hours.
  • CHEN 1300 - Introduction to Chemical Engineering
    Primary Instructor - Fall 2019
    Meets for one lecture per week. Introduces chemical engineering emphasizing history of the profession, curriculum, chemical industry, and industrial chemistry. Includes industry visits, oral presentations, faculty and professional meetings,and development of a goals statement.
  • CHEN 3220 - Chemical Engineering Separations and Mass Transfer
    Primary Instructor - Spring 2019
    Studies separation methods including distillation, absorption, and extraction, and graphical and computer-based solutions to separation problems. Also studies mass transfer rate processes, including diffusion, microscopic material balances, and correlations for mass transfer coefficients. Applies mass transfer rate theory to packed and tray columns.
  • CHEN 5919 - Special Topics in CHBE
    Primary Instructor - Spring 2018 / Spring 2019 / Spring 2020
    May be repeated up to 5 total credit hours.


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