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News & highlights.

2026

September

Yu Chen received the 2025–2026 Chinese Government Award for Outstanding Self-Financed Students Abroad. Congratulations!

May

Prof. Chung and Prof. Lah's invited review paper on Structural Demons has been published in the special issue of the Israel Journal of Chemistry.

March

Muhammad's review paper on direct air capture has been published in the Chemical Engineering Journal. Congratulations!

March

Haewon and Taekgi's paper on machine learning and large language models to predict lithium ion conductivity in solid-state electrolytes has been published in the Journal of Chemical Physics. Congratulations!

February

Prof. Chung was quoted in the Research Briefing by Nature Computational Science.

February

Youri Ran from Universiteit van Amsterdam (Computational Chemistry Group; supervised by David Dubbeldam) joins the group as a visiting Ph.D. student. Welcome!

February

Sunghyun successfully defended and received his Ph.D. in Chemical Engineering. He continues in the group as a Postdoctoral Researcher. Congratulations!

January

Haewon graduates with a Master's degree in Chemical Engineering and joins SK hynix as an Engineer. Congratulations!

2025

December

Sunghyun's paper on MPD integrated process modeling and optimization was published in Industrial & Engineering Chemistry Research.

December

Guobin joined the MACE group (PI: Xiaoyan Li) in the Department of Chemistry at the National University of Singapore as a Postdoc.

November

Muhammad, Sunghyun, and Yu's paper was published online in Computer Physics Communications.

November

Changdon and Sunghyun's paper was published online in Molecular Systems Design & Engineering.

October

Prof. Chung was quoted in Chemistry World’s article on neural networks for detecting crystal structure errors in MOF databases.

October

Yu and Guobin's paper was published online in Langmuir.

August

Sunghyun, Guobin, and Yeji's paper was published online in Separation and Purification Technology.

August

Guobin and Pengyu's paper on MOFClassifier was published online in the Journal of the American Chemical Society.

May

Guobin, Sunghyun, and Haewon's paper on CoRE MOF DB was published online in Matter.

February

Sunghyun's paper on techno-economic analysis of boil-off gas treatment using MOF was published in Chemical Engineering Journal.

2024

November

Haewon won the Grand Prize at the first Medical AI competition! Congratulations!

October

Undergraduate students Taekgi and Jaehoon won the Samsung AI Challenge! Congratulations!

October

Yu published a paper on force field parameters for Mg-catecholate and hydrogen, and high-throughput screening of COFs, in ACS Applied Materials & Interfaces.

September

Sunghyun and Muhammad's paper on pressure-vacuum swing adsorption modeling and optimization for a ternary system was published in Chemical Engineering Journal.

September

Haewon published a collaborative paper on modeling aqueous zinc metal batteries with SKKU in Advanced Functional Materials.

August

Muhammad successfully defended his Master's degree in Chemical Engineering. He continues in the group as a Ph.D. student. Congratulations!

June

Guobin's paper on a machine learning model to predict partial atomic charges in porous materials was published in the Journal of Chemical Theory and Computation.

April

Yu published a collaborative paper on modeling porous aromatic frameworks with Korea University in Advanced Materials.

April

Guobin and Haewon published a paper on machine learning models for low-GWP and molecular lifetime in the Journal of Physical Chemistry A.

February

Prof. Chung published a collaborative review paper on computational MOF discovery in Nature Energy.

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