Developing Models for Chemical Reactivity

If interested in joining Prof. Ogba's computational chemistry research group, please do NOT apply using the URO site. Instead, click here

Summer 2025 research in Prof. Ogba's group is 

• full time (10 weeks, May 27 - Aug 01, 40 hr a week), and 

• paid, including housing support.

All applications submitted by Sunday February 16 @ 11:55pm will receive full consideration by Prof. Ogba for Summer 2025 research.

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Overall Aims of Prof. Ogba's Computational Chemistry Reaction Mechanisms Groups:

In Prof. Ogba's Computational Chemistry Reaction Mechanisms Group at HMC, we use state-of-the-art computational chemistry techniques and high-performance computing (HPC) power to understand the chemical interactions that govern the mechanism and outcomes of chemical reactions. The end goal is to develop simple and robust models chemists can use to improve the efficiency of existing reactions and design new ones!   

Current Research Projects

• Develop design principles for using s-block Lewis acids as catalysts to convert fluorinated compounds (potential environmental and health hazards) into easily degradable nitrogen-rich compounds of high societal value.
• Uncover reactivity models for using low-valent carbon Lewis bases as catalysts to "upcycling" carbon dioxide emissions from fossil fuel consumption into high-value chemicals.
• Develop a theoretical framework for using molybdenum catalysts in deoxydehydration processes, which convert diols (two carbon-hydroxyl bonds) into olefins (carbon-carbon double bonds).
• Develop a general and predictive model for linear peptide cyclization with therapeutic potential.

Tasks and Techniques Utilized

• Students in the program are exposed to various industry-standard computational chemistry software, including Schrödinger Macromodel and Gaussian for molecular mechanics and quantum mechanics calculations, as well as Gaussview and PyMOL for molecular visualization. Additionally, they extensively use spreadsheets for data analysis.
• Furthermore, students use Python scripts developed by the research advisor to process large datasets from their computations and have the opportunity to develop programming skills.

Join the Team!

We engage in chemical research across organic and inorganic chemistry using a computational chemistry lens. We welcome students with various interests in chemistry and at different levels of their academic journeys (i.e., 1st, 2nd, and 3rd-year students).

• Research Website: Click here
• Publications: Click here
• Application Form (and Research Syllabus): Click here