Mary (MJ) Richardson
Cohort 2024 · Chemistry
My research centers on the theoretical characterization of chemical systems using Density Functional Theory (DFT). I apply energetic and topological analyses (EDA, NBO, ELF, NCI, etc.) to uncover the origins of bonding, interactions and reactivity from an atomic level perspective. By combining DFT-derived insights with machine learning, my work guides molecular design and assesses reaction feasibility, with applications spanning ice lithography, chromophore photophysics, semiconductor/ALD processes, and pharmaceutical catalysis.
Advisor · Kurt Brorsen
I'm MJ! I'm originally from Florida, where I received my Bachelors of Science degree in Chemistry with a minor in Mathematics from Florida Gulf Coast University. In 2023, I moved to Missouri to pursue my PhD. in Chemistry and have loved it ever since! In my free time, I enjoy teaching group fitness, baking, traveling, and spending time with my cat Kevin.
Publications
- Computational Analysis of the (4+3) Cycloaddition Reaction of a Sulfoximine‐Stabilized Oxyallylic Cation With Furan (2026) · Journal of Computational Chemistry
- Consequences of alkane chain length on structure, dynamics, and frequencies in imidazolium chloride ionic liquids: A molecular dynamics study (2026) · Journal of Molecular Liquids
- Revealing the Effect of Hindered Weak Electrostatic Interactions of the Alkane Chain Length in the Imidazolium Chloride Ionic Liquids: A Molecular Electrostatic Potential Study (2025) · Journal of Computational Chemistry
Leadership history
- Officer of Student comMUnity · 2026–present