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!
![](https://private-user-images.githubusercontent.com/14892262/331916215-e545f71a-e24f-4ab4-97cb-7fa83dc69100.gif?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.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.1w8pmV3I-9rkVeNJon-1WWW9TyT10gz3ldPivyIElMQ)
![ternary](https://private-user-images.githubusercontent.com/14892262/341920148-65e3bd76-8aaa-4a2b-b858-d3b83102867a.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MjM1MzgxMzUsIm5iZiI6MTcyMzUzNzgzNSwicGF0aCI6Ii8xNDg5MjI2Mi8zNDE5MjAxNDgtNjVlM2JkNzYtOGFhYS00YTJiLWI4NTgtZDNiODMxMDI4NjdhLnBuZz9YLUFtei1BbGdvcml0aG09QVdTNC1ITUFDLVNIQTI1NiZYLUFtei1DcmVkZW50aWFsPUFLSUFWQ09EWUxTQTUzUFFLNFpBJTJGMjAyNDA4MTMlMkZ1cy1lYXN0LTElMkZzMyUyRmF3czRfcmVxdWVzdCZYLUFtei1EYXRlPTIwMjQwODEzVDA4MzAzNVomWC1BbXotRXhwaXJlcz0zMDAmWC1BbXotU2lnbmF0dXJlPTc5YWZhNWQ4ZjI1MGJlYzJlNTQ4ZTczNDVlOGYxN2YyYzYxZmE4ZGFhMTFjYjkzYjY0MmYwOTZiMDE1MTM2Y2MmWC1BbXotU2lnbmVkSGVhZGVycz1ob3N0JmFjdG9yX2lkPTAma2V5X2lkPTAmcmVwb19pZD0wIn0.p83qp0Wll8AfU397emq6kNTErYHBxuH7ZQo-btMGn4Y)
Last update: June 21, 2024