Jihan Kim
Also known as 김지한
Jihan Kim is a computational chemist at KAIST whose group uses machine learning and generative AI to design porous materials for applications such as gas adsorption and carbon capture. He studied electrical engineering at Berkeley and Illinois, earned his Ph.D. in 2009, and worked as a postdoctoral researcher at Lawrence Berkeley National Laboratory until 2013. In January 2020, KAIST announced his team's generative adversarial network for designing zeolites, and in 2024 he and Yeonghun Kang published ChatMOF, a language-model system that predicts and generates metal-organic frameworks. His team screened more than 8,000 synthesized MOFs for direct air capture with a machine learning force field in June 2025, and in September 2025 it reported using quantum computers to design multivariate porous materials. He is a professor in KAIST's Department of Chemical and Biomolecular Engineering and an adjunct professor in its AX faculty.
- Now at
- KAIST
Timeline
-
2001–2009
Degrees at Berkeley and Illinois
He earns a B.S. in electrical engineering and computer sciences at the University of California, Berkeley, in 2001. He then completes an M.S. in 2004 and a Ph.D. in 2009, both in electrical and computer engineering, at the University of Illinois at Urbana-Champaign.
-
2009–2013
Postdoc at Berkeley Lab
He works as a postdoctoral researcher at Lawrence Berkeley National Laboratory, in the Computational Sciences Division from 2009 to 2011 and in the Materials Sciences Division from 2011 to 2013.
-
2019
Algorithm-designed MOF composites
In 2019, he coauthors a Nature Communications paper whose joint computational and experimental workflow screens thousands of metal-organic frameworks for pairs that connect seamlessly. Six predicted pairs, including HKUST-1@MOF-5, are synthesized as single crystalline MOF@MOF.
-
2020
A GAN for zeolite design
In January 2020, KAIST announces that his research team has used AI to inverse design porous materials with desired properties. The team trains a generative adversarial network on three-dimensional grid data from molecular simulations and generates zeolites with structures the AI had not learned, aiming at energy storage materials such as gas adsorption materials.
-
2024
ChatMOF in Nature Communications
In 2024, he and Yeonghun Kang publish ChatMOF in Nature Communications, an AI system built on GPT-4 and GPT-3.5-turbo that predicts and generates metal-organic frameworks. With GPT-4 it reaches accuracy rates of 96.9% for searching, 95.7% for predicting, and 87.5% for generating tasks.
-
June 2025
Screening MOFs for air capture
In June 2025, a team he leads, working with Imperial College London, reports in Matter a machine learning force field for the interactions of CO2 and water with MOFs. The method screens over 8,000 experimentally synthesized MOF structures and identifies more than 100 promising candidates for CO2 capture.
-
September 2025
Quantum computing for porous materials
In September 2025, a KAIST team he leads reports using quantum computers to design multivariate porous materials, with the findings published in ACS Central Science. The team encodes the framework structures as qubits and synthesizes four predicted structures, and the experimental results match the simulations.
-
As of October 2026
Professor at KAIST
He is a professor in the Department of Chemical and Biomolecular Engineering at KAIST, with research interests in computational chemistry, nanomaterials simulations, machine learning and AI, and materials design. He is also an adjunct professor in KAIST's AX faculty, with generative AI and inverse design among his core AI competencies.
Career
- NowKAISTProfessor
- 2009–2013Office of SciencePostdoctoral Researcher
Education
Sources and credits
Photo: We have no published photo of Jihan Kim yet. Send us a free-licensed photo.
- KAIST | MOLSIM - People
- Computer-aided discovery of connected metal-organic frameworks
- Designing 'Zeolite' with Artificial Intelligence - The Asia Business Daily
- ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models
- KAIST AI Advances CO₂-Selective Material Discovery | decarbonfuse.com
- KAIST Researchers Use Quantum Computers to Unlock New Energy Materials
- Jihan Kim (김지한) - Faculty, KAIST Department of Chemical and Biomolecular Engineering
- Faculty | AX

