Welcome to Professor Jihan Kim's Research Group. 

We are a computational chemistry group at KAIST that focuses on solving some of today's most important energy and environmental related problems.  We aim to develop accurate and efficient models to create, in silico, materials that can be used for wide range of applications such as carbon capture, methane/hydrogen storage, and batteries.   Finally, we are not afraid to use concepts from many other disciplines (e.g. computer sciences, artificial intelligence, music, graphics) to develop unique solutions that can differentiate our group.  


Recent News 

12/2019:   Another fairwell in our group as we say goodbye to Youhan Lee (이유한 박사) who has started a new       선임연구원 position at KAERI in its new artificial intelligence (AI) division.  Wish him the best as many people in our group are graduating at the same time. 

11/2019:   Our group said fairwell to Bong Lim Suh (서봉임 박사) who has started a new postdoctoral position at KIST  (미래융합기술본부 계산과학연구센터).  We wish her the best luck and thank her for the excellent work she did  with the group.  

11/2019:   Youhan Lee was awarded 우수구두발표상 for his presentation entitled "Extracting hidden signals in chemical sensors using deep learning based anomaly detection" at the 2019 KICHE.  Congrats!

9/2019:   Bong Lim's paper "Photochemically Induced Water Harvesting in Metal-Organic Framework" has been published in ACS Sustainable Chemistry and Engineering.  In this work, we computationally designed an open-metal site MOF with azopyridine molecules attached to the open metal sites.  These tethered molecules can in principle undergo cis/trans transitions, which can drastically alter the water uptakes and be used as a "switch" for water harvesting applications.  Congrats!

9/2019:   Sanggyu Chong (정상규) was the recipient of the prestigious Global PhD Fellowship from the National Research Foundation of Korea.  Congratulations!

8/2019:   Ohmin's paper "Computational-aided discovery of connected metal-organic frameworks" has been published in Nature Communications.  This was a collaborative work with Prof. Hoi Ri Moon's group (UNIST) where we demonstrated that we can "connect" two different MOFs into core-shell structure from molecular level design.  This is the first instance where synthesis of composite MOFs originated from theoretical predictions and we anticipate that computational tools will become more prominent when it comes designing composite nanomaterials.  Congratulations to everyone involved!

3/2019:   Hoeyeon's paper "Computational Analysis of Linker Defective Metal-organic Frameworks for Membrane Separation Applications" has been accepted to Langmuir.  In this work, we have analyzed the effect of linker vacancies on the diffusion properties of metal-organic frameworks.  As such, we have come to the conclusion that if we take linker vacancies into account, the rankings of the best membrane separation materials changes (sometimes drastically) and as such, this should be taken into account for rational materials design.  Congrats!

3/2019:   We welcome three new students to the group: Mingyu Jeon, Junkil Park, and Yeonghun Kang!  

1/2019:   Sangwon's paper "Predicting performance limits of methane gas storage in zeolites with artificial neural network" has been accepted to Journal of Materials Chemistry A.  In this work, we have developed a neural net work called ESGAN (energy shape generative adversarial network) to create "energy shapes" of materials that can let us deduce the maximum performance limits for a given class of materials.  Congratulations!

1/2019:   Prof. Jihan Kim has been awarded the 2018년 KAIST 공과대학 기술 혁신상.  

1/2019:   Hoeyeon has graduated with her master's degree and she will be working at the Samsung SDI.  We wish her the best of luck in the future.