Hyunsoo

From text to insight: large language models for chemical data extraction The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on m...

🎅🏼 A small early Christmas present from our team.

To celebrate the publication of our data extraction tutorial in Chem Soc Rev, we made it easy to run it — without any installation — on a JupyterHub of the Base4NFDI.

🎥 Video intro to the JupyterHub deployment: youtu.be/l-5QNUo1fcU

21.12.2024 22:39 — 👍 24    🔁 6    💬 1    📌 2

An extended graphical abstract showing predicted solar cell efficiency vs growth conditions

A pint of defect chemistry, a dash of #CompChem, and a sprinkle of Sah-Shockley statistics. The final PhD work from Xinwei Wang just appeared in #ACSEnergyLett, connecting github.com/WMD-group/Ca... with the solar cell performance of Sb₂S₃ 🌞 pubs.acs.org/doi/10.1021/...

19.12.2024 08:18 — 👍 25    🔁 5    💬 1    📌 0

We’re thrilled to introduce 𝗗𝗔𝗖-𝗦𝗜𝗠, a molecular simulation package that integrates transferable machine learning force fields (MLFFs) into Metal-Organic Frameworks (MOFs) for CO₂ DAC applications.

Project Page: hspark1212.github.io/DAC-SIM-proj...
Code: github.com/hspark1212/D...

16.12.2024 13:26 — 👍 7    🔁 0    💬 0    📌 0

CoRE MOF logo

CoRE MOF DB, 2024 version, is available @chemrxiv.bsky.social ! A curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening doi.org/10.26434/che...

12.12.2024 18:39 — 👍 20    🔁 7    💬 2    📌 0

A list of my research group contributions to the Fall Meeting of the MRS

I’ve attended the Materials Research Society Fall Meeting for some time. First for buzzing conductive oxide symposia, then an era of overflowing halide perovskite rooms, and now I’m quite drawn to #AIforScience. Looking forward to placing my finger on the pulse of #f24mrs this week #ChemSky

01.12.2024 10:08 — 👍 28    🔁 3    💬 2    📌 0

As my first post on @bsky.app, I'm happy to announce the publication of a paper describing the new (very fast!) GPU version of our RASPA simulation code, gRASPA. Congratulations to Zhao Li and the team!

20.11.2024 21:55 — 👍 32    🔁 6    💬 2    📌 0

Here is the Chemeleon (Chemist Cameleon) logo 🦎 (Generated by DALL·E 3 !)

28.11.2024 10:45 — 👍 8    🔁 0    💬 1    📌 0