Hyunsoo
@hspark1212.bsky.social
Materials.AI | Research Associate at Imperial College London
Reposted by Hyunsoo
🎅🏼 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
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
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...
pubs.rsc.org
December 21, 2024 at 10:39 PM
🎅🏼 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
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
Reposted by Hyunsoo
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/...
December 19, 2024 at 8:18 AM
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/...
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...
December 16, 2024 at 1:26 PM
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...
Reposted by Hyunsoo
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...
December 12, 2024 at 6:39 PM
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...
Reposted by Hyunsoo
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
December 1, 2024 at 10:08 AM
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
Reposted by Hyunsoo
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!
November 20, 2024 at 9:55 PM
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!
Here is the Chemeleon (Chemist Cameleon) logo 🦎 (Generated by DALL·E 3 !)
November 28, 2024 at 10:46 AM
Here is the Chemeleon (Chemist Cameleon) logo 🦎 (Generated by DALL·E 3 !)