Aritra Roy
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aritraroy24.bsky.social
Aritra Roy
@aritraroy24.bsky.social
PhD Student at LSBU, UK | Researching Energy Materials Using AI-ML 🧠| Passionate about Computational Materials Science | Combining Science & Technology ⚛️💻📚

🌐 https://aritraroy.live/
🔬Meet µ𝐒𝐭𝐚𝐜𝐤—an AI-powered platform that democratizes atomistic microscopy simulations! 🚀

💥LLM-driven structure generation → ML-based relaxation → GPU-accelerated simulations

Big thanks to our team🤗 & hackathon organizers! 🙌

Related links in thread👇

#AI #Science #Microscopy #llmagents #hackathon
December 19, 2025 at 11:39 AM
🎉1st first-author paper from PhD is out as preprint!

𝐂𝐨𝐦𝐏𝐫𝐨𝐒𝐜𝐚𝐧𝐧𝐞𝐫: A multi-agent based framework for composition-property structured data extraction from scientific literature

📄https://arxiv.org/abs/2510.20362
💻https://github.com/slimeslab/comproscanner
📙https://slimeslab.github.io/ComProScanner
November 1, 2025 at 8:19 PM
Reposted by Aritra Roy
Our multimodal follow-up to ChemBench. Our team went to the lab to create images to challenge leading vision language models.

Check the paper arxiv.org/abs/2411.16955 to learn more.
November 27, 2024 at 4:50 PM
Reposted by Aritra Roy
We are hiring (resharing appreciated)!

Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025.

Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus.
#ChemSky
December 2, 2024 at 10:33 AM
Reposted by Aritra Roy
For those of you looking for a big helping of LLMs for Thanksgiving, here you go! 🤖🦃

📝 arxiv.org/abs/2411.15221

We release 34 examples demonstrating applications of LLMs in materials science and chemistry across:
🔶molecular and material property prediction;
🔷molecular and material design;
...
November 26, 2024 at 9:21 PM