I'm excited to have contributed to a paper published in JACS!
Here, I generated ~90 crystal physics-based features for ~2,000 .cif files using my cifkit Python package.
Colleagues from CUNY and IIT then applied clustering models and experimentally validated the predictions.
Unsupervised Machine Learning Prediction of a Novel 1:3 Intermetallic Phase with the Synthesis of TbIr3 (PuNi3-type) as Experimental Validation | Journal of the American Chemical Society @kgpians@Hunter_College https://t.co/hUuJZSRJ7U
Congratulations to Professor of Chemistry, Robert Q. Topper, on receiving the 2024 Outstanding Four-Year Undergraduate Chemistry Faculty Teaching Award from @acs_newyork! 🎉 #chemistry#education#nyacs https://t.co/4QOKWi0UrO
In today's featured article, Jaffal, Lee, Oliynyk et al. introduce an approach to improving predictive uncertainty in solid-state structure prediction combining a Composition Analyzer Featurizer (CAF) and Structure Analyzer Featurizer (SAF). Read more: https://t.co/h7JQ3fTHKO
Herein Digital Discovery, I published 3 Python tools I built.
From featurization to classification, if you ask me, it looks promising...
https://t.co/WAYFwVtlEN
What I did in 2024:
- 24 credits, finished MS coursework
- 4 peer-reviewed papers
- 25 citations
- 5 labs in collaboration
- 23 blog posts
- 101 repositories contributed
2025 will be a transformative year.
I am happy to contribute to the following paper.
Our inorganic compositional descriptor dataset (OLED) has been used for training classical ML in predicting thermoelectric properties.
It's performing pretty well.
https://t.co/eFw5k4VoPi
Thanks for using the graphics (left) generated with my Python software, CIF Bond Analyzer (https://t.co/NM9GhNWUuv).
This looks like an incredible opportunity! https://t.co/5OGpHrO3ga
My Python package is now available on the Journal of Open Source Software (JOSS). The package extracts numerical descriptors from .cif files for (1) structural analysis and (2) generating features for ML models. https://t.co/qJsI0EKNtZ
Researchers at Cooper Union use Monte Carlo and quantum calculations to interpret mass spectra and predict structures, decomposition and growth of ammonium nitrate nanoparticles. @cooperunion @salty_chemist
https://t.co/0hqLsV6wOr
Interpretable Machine Learning Model on Thermal Conductivity Using Publicly Available Datasets and Our Internal Lab Dataset #machinelearning#compchem https://t.co/bgN4iGDxzy
I collaborated with Dr. Oliynyk to release CIF Bond Analyzer (CBA), an interactive command-line Python application for the high-throughput extraction of minimum bond length and atomic mixing information from CIF files.
GitHub: https://t.co/NM9GhNWUuv
I have decided to document tips and tools learned in materials science and solid-state chemistry.
First two topics are for beginners:
(1) generate compositional features with CBFV
(2) get comfortable with Python package manager Conda + cheatsheet.
https://t.co/nmT3EOhG13
Celebrating the @cooperunion@CUAlbertNerken ChemE seniors the right way, with a not at all competitive (I won!!!) kickball game in Central Park and game night in the east village! Congratulations ChemE seniors!
On behalf of the Cooper Union URC, we are proud to lead and host this event as the largest student-led research event in Fall 2022 attended by more than 100 students and faculty. We would like to thank our sponsors.
Please look forward to the next journey in Spring 2023.
Photos from @cooperunion’s 1st Undergraduate Research Symposium organized by students.
Congrats to Nada Shetewi ChE’24 for winning Best Presenter Award & Renata Ashapatov ChE’23 for winning Best Poster Award!
Prof. @salty_chemist & Sanjoon Lee ChE'23 had an eventful summer presenting and publishing research on new computational methods for atmospheric nanoparticles!! Read more here - https://t.co/8sigUNjGuq
Thank you for attending our very first event in #korea 🇰🇷 with @MIHventures & @MaticNetwork. It seems like our approach to #scalability at #Layer0 is getting major support among local communities. We will share some insights on the Korean crypto-market in our next blog update!