Caroline Rosemyya Kwawu
The researcher's work is centered on advancing understanding across multiple disciplines with a focus on computational methods such as density functional theory (DFT). Their research encompasses catalysts for methane reforming, techniques for CO2 reduction, electrocatalysts for energy conversion, studies on organic cycloadditions, molecular materials like graphene, applications in fuel cells, catalytic processes including ethyne oxidation, energy systems using perovskites and electrocatalysts, metallophores, supercapacitor materials, contact dermatitis, and the performance of lenses. Their overarching theme is to explore structural, electronic, catalytic, and hydrodeusulfurization phenomena across various domains using DFT studies.
Faculty Biography
Dr. Caroline Rosemyya Kwawu is a Senior Lecturer at the Department of Chemistry, Kwame Nkrumah University of Science and Technology (KNUST) - Ghana, who is specialized in the area of Physical/Theoretical/Computational Materials Chemistry. She tutors Physical Chemistry courses including Computational Chemistry, Electrochemistry, Chemical Kinetics, and Chemical Thermodynamics.Dr. Kwawu holds a Ph.D. in Computational Chemistry from the Department of Chemistry, KNUST, supported by the Royal Society-Leverhulme Africa Award, with supervision from Prof. Nora de Leeuw (Cardiff University, Wales), Prof. C. Richard A. Catlow (UCL, London), Prof Evans Adei (KNUST) and Prof. Richard Tia (KNUST). Dr. Kwawu prior obtained a BSc. Chemistry degree with distinction in the First-Class division from the Department of Chemistry, KNUST. She was a Visiting Scientist at the 2022 71st Lindau Nobel Laureates Meeting in Germany. Her research focuses on coordination materials and reticular chemistry. Using organic/inorganic materials for waste (CO2, biomass, and solar) upgrade into useful commodities, to address issues of climate change, energy scarcity, health, and environmental sustainability. Her research explores heterogeneous processes like surface diffusion, drug delivery, chemical decomposition, charge transfer processes, and reaction mechanisms at the atomic/molecular level towards designing novel efficient catalytic surfaces. She adopts DFT equilibrium, molecular dynamics, and machine learning computational approaches to assist answer scientific questions collaboratively with experimentalists in Senegal, Sri Lanka, the UK, and Ghana. Dr. Kwawu is an awardee of prestigious awards like The World Academy of Sciences Individual and Collaborative Research Grants, 2018 and 2022. The awards (18-032 RG/CHE/AF/AC_I and 22-004 RG/PHYS-CHE/AF/AC_CG) were with grant monies of USD 14,000 and USD 35,000 respectively. As well as the Royal Society Leverhulme Africa Postdoctoral Fellowship in 2018. The award (LAF\R1\180013) was with grant money of £ 17,800.Dr. Kwawu is a mentor and has supervised students at the undergraduate and postgraduate levels. Her research work has been published in international journals like Physical chemistry chemical Physics, Materials for Renewable and Sustainable Energy, Catalysts, Advanced surface science, etc. Her articles are cited globally and indexed on Google Scholar. She is an invited reviewer for international journals. She is a member of professional bodies like the Royal Society of Chemistry, Ghana Science Association, Ghana Chemical Society, and Women in Science, Technology, Engineering, and Mathematics Ghana.Her goal is to contribute to providing renewable energy (i.e., energy generation and storage technologies), medicinal solutions, and environmental remediation technologies by providing insights into chemical processes occurring in these environments.
Catalysis and Hydrodesulfurization Studies
Catalysis and Oxidation Reactions
Catalysts for Methane Reforming
CO2 Reduction Techniques and Catalysts
Contact Dermatitis and Allergies
Corrosion Behavior and Inhibition
Electrocatalysts for Energy Conversion
Fuel Cells and Related Materials
Magnetic and transport properties of perovskites and related materials
Municipal Solid Waste Management
Organic Chemistry Cycloaddition Reactions
Oxidative Organic Chemistry Reactions
Supercapacitor Materials and Fabrication
Thermochemical Biomass Conversion Processes
Department of Chemistry
Kwame Nkrumah University of Science and Technology