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Yunsung Lim

@yunsunglim.bsky.social
13 followers 19 following 0 posts

PhD candidate @ KAIST Working on materials design using computational methods

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Reposted by Yunsung Lim
Aron ⇋ e⁻ @aronwalsh.github.io · 16/12/2024
A holiday treat for direct air capture of CO₂ with metal-organic frameworks 🎄 A #preprint led by @hspark1212.bsky.social & @yunsunglim.bsky.social with: - Fine-tuned machine learning force field MACE-DAC - Integrated simulation package DAC-SIM chemrxiv.org/engage/chemr... #CompChemSky #ChemSky
A schematic of gas adsorption in a porous solid along with a plot of heat of adsorption for CO₂ vs H₂0
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