I will be joining Prof. Simon Billinge's group in Fall 2024. https://github.com/Billingegroup
During my spare time, I collaborate with Dr. Anton Oliynyk from CUNY Hunter College. I generate geometric/compositional features and build user-interactive research tools for filtering, preprocessing, and merging crystal data.
| # | Project | Description | Publication Link |
|---|---|---|---|
| 1 | CIF Bond Analyzer (CBA) | Computes the minimum atomic bonding distances from sites, generating histograms and pair counts. | Journal of Alloys and Compounds |
| 2 | Structure Analyzer/Featurizer (SAF) | Generates geometric features of interatomic distances, atomic environment information, and coordination numbers. | TBA (Summer 2024) |
| 3 | Composition Analyzer/Featurizer (CAF) | Generates chemical compositional features and provides tools for filtering, sorting, and merging data. | TBA (Summer 2024) |
| 4 | CIF Cleaner | Formats .cif files and sorts them based on tags, supercell size, and minimum distance. | N/S |
| 5 | cifkit | Python package for .cif high-throuhgput analysis (NEW) | N/S |
I document my learning and share my personal essays here: https://bobleesj.github.io/blog
I am currently enrolled in the M.S. Materials Science and Engineering program with a concentration in Materials Theory and Simulations at Columbia University, advised by Dr. Renata Wentzcovitch.
Prior to Columbia, I earned a B.E. in Chemical Engineering with minors in Computer Science and Chemistry from The Cooper Union. There, I conducted three semesters of supervised research on Monte Carlo geometry optimization and open-source development, advised by Dr. Robert Topper.
I completed graduate-level coursework in Deep Learning (ECE 472) and Natural Language Processing (ECE 467). My other relevant graduate coursework includes Polymers, Phonons, Electrons, Condensed Matter Physics, Thermodynamics, and Numerical Analysis.
I will be attending the following events:
- Deep Modeling for Molecular Simulation 2024, Princeton University, June 25-28, 2024
- Gordon Research Conference (GRC) Solid-State Chemistry, New Hampshire, July 20-26, 2024
New features coming to CIF Bond Analyzer!
Last update: June 21, 2024
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