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Hyunsoo

@hspark1212.bsky.social
55 followers 167 following 2 posts

Materials.AI | Research Associate at Imperial College London

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Kevin Jablonka @kjablonka.com · 21/12/2024
🎅🏼 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
pubs.rsc.org
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...
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Reposted by Hyunsoo
Aron ⇋ e⁻ @aronwalsh.github.io · 19/12/2024
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/...
An extended graphical abstract showing predicted solar cell efficiency vs growth conditions
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Hyunsoo @hspark1212.bsky.social · 16/12/2024
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...
hspark1212.github.io
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FX Coudert @nanoporous.net · 12/12/2024
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...
CoRE MOF logo
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Aron ⇋ e⁻ @aronwalsh.github.io · 01/12/2024
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
A list of my research group contributions to the Fall Meeting of the MRS
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Randall Snurr @randallsnurr.bsky.social · 20/11/2024
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!
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Hyunsoo @hspark1212.bsky.social · 28/11/2024
Here is the Chemeleon (Chemist Cameleon) logo 🦎 (Generated by DALL·E 3 !)
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