Hi! I'm a PhD student at City University in NYC. My research interests are pretty broad, but revolve around using computational methods to explore novel materials and chemistries coupled with experimental validation, although I'm a bench chemist at heart.
I'm currently working with Dr. Anton Oliynyk on synthesizing and studying novel intermetallic compounds. We use electronic structure calculations and machine-learning methods to predict things like crystal structures, transport properties, superconductivity, or magnetism. Our research focuses on intermetallics involving rare-earth elements, with every ML model we develop being experimentally validated.
Check out my website here!
Check out my materials informatics tutorial here!
| # | Project | Description | Publication Link |
|---|---|---|---|
| 1 | Composition Analyzer/Featurizer (CAF) | Generates chemical compositional features and offers a suite of tools for data manipulation, including filtering, sorting, and merging. | Digital Discovery |
| 2 | CIF Site Analysis | Tools for site-specific analysis in crystallographic information files (CIFs), focusing on geometric and structural insights. | IMMI |
| 3 | XRD Comparison & Matcher Tool | GUI for novice users to compare multiple ‘.xy‘ files from X-ray diffraction (XRD) data with .cif files. Helps in identifying impurities, phase matching, and visualizing differences in crystal structure XRD. patterns. | N/A |
| 4 | High-throughput LMTO Plotter | Parses .csv files produced by the high-throughput LMTO package and automatically produces easily readable & aesthetically pleasing plots ready for publication, posters or presentations. | N/A |