Research

Singlet Triplet Inversion

Certain molecules can display a phenomenon called singlet-triplet inversion, in which the triplet state actually becomes higher in energy than the singlet state, exceptions to Hund’s rule. Such molecules exhibit properties like thermally activated delayed fluorescence, vital for more efficient OLEDs.

Using quantum mechanical calculations, I investigated photophysical properties that enable singlet-triplet inversions: exchange energy and electron correlation strengths. Most of this was done with QChem and Gaussian computational methods. I also wrote scripts to analyze orbital geometries and point group symmetries for a heuristic approach at understanding exchange energies. We’re currently looking to publish our findings.

In addition, I corresponded with Professor Leonardo Sousa of the Technical University of Denmark to set up his photophysical software package, NEMO, at Osaka University. By harnessing nuclear ensemble methods, I ran calculations for emission spectra, transition rates, and photoluminescent quantum yields. These results supported experimental findings regarding novel molecules.

I appreciate the NSF for funding this fellowship and amazing experience.

Presentations

• Zhou, A. (2025). Singlet Triplet Inversion. PIRE Research Symposium, Yamagata University, July.

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Diamond Precipitation Dynamics on Exoplanets

On some planets, like Jupiter, it literally rains diamonds. I spent a summer researching this phenomenon in exoplanetary contexts by modeling high-pressure equations of state (EoS). Using recursive computational methods, I derived internal pressure–density profiles from planetary compositions. My algorithm implemented a numerical procedure that iteratively solved the Adams–Williamson equation alongside several EoS models. Using Monte Carlo simulations, we identified classes of exoplanets that are likely candidates for diamond precipitation. Beyond sounding cool, studying diamond rain provides insight into high-density physics, with applications spanning nuclear fusion, planetary formation, and astrobiology. Check out our paper for more! paper link

Thank you to the Department of Energy for funding this project.

Presentations

• Zhou, A. (2024). Diamond Precipitation on Exoplanets. Department of Energy IGNITE Presentation, Stanford Linear Accelerator Center, August.
• Zhou, A. (2024). Carbon Depletion of Ices by Diamond Precipitation in Sub-Neptune Exoplanets. Gulf Coast Research Symposium, Rice University, October.

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