Principal Investigator

  • Donghun Kim (김동훈), Ph.D.

    Associate Professor

    Department of Materials Science and Engineering, KAIST

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Postdoctoral Researcher

  • Ohmin Kwon (권오민), Ph.D.

    InnoCORE Postdoctoral Fellow

    Lead of Computation Team

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  • Kiseok Oh (오기석), Ph.D.

    InnoCORE Postdoctoral Fellow

    Lead of Experiment Team

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  • Myungkeun Cho (조명근), Ph.D.

    InnoCORE Postdoctoral Fellow

    Lead of Computation Team

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Graduate Student

  • Gyeong Hoon Yi (이경훈)

    Graduate Student (Ph. D. course)

    Lab Chief

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  • Jeongho Oh (오정호)

    Graduate Student (Ph. D. course)

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  • Sihyun Joo

    Sihyun Joo (주시현)

    Graduate Student (MS course)

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  • Junho Yang (양준호)

    Graduate Student (MS course)

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  • Dongwoo Kim (김동우)

    Graduate Student (MS course)

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  • Junhyeon Mun (문준현)

    Junhyeon Mun (문준현)

    Graduate Student (MS course)

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  • You?

    Openings for Spring 2027

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Undergraduate Student

  • Woochan Jang (장우찬)

    Undergraduate Student (BS course)

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Lab Administrator

  • Jeongeun Mun (문정은)

    Lab Administrator (CAIM Lab 행정원)

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Alumni (Postdoctoral training)

  • Current position: Assistant Professor at Kyungpook National University (경북대학교 화학공학과)

    Position at the CAIM Lab: Postdoctoral researcher

    Education:

    PhD Chemical and Biomolecular Engineering, KAIST, Korea (2024)

    MS Chemical and Biomolecular Engineering, KAIST, Korea (2021)

    BS Chemical and Biomolecular Engineering,KAIST, Korea (2019)

    Research interest: MLP (machine learning potential), SSE (solid-state electrolyte)

    Papers from the CAIM Lab:

  • Current position: Assistant Professor at Dankook University (단국대학교 고분자공학과)

    Position at the CAIM Lab: Postdoctoral researcher

    Education:

    PhD Materials Science and Engineering, KAIST, Korea (2024)

    MS Materials Science and Engineering, KAIST, Korea (2019)

    BS Materials Science and Engineering, Korea University, Korea (2017)

    Research interest: Density functional theory, Machine learning potential, Electrocatalyst

    Papers from the CAIM Lab:

  • Current position: Assistant Professor at University of Seoul (서울시립대 신소재공학과)

    Position at the CAIM Lab: Postdoctoral researcher

    Education:

    PhD Materials Science and Engineering, KAIST, Korea (2022)

    MS Materials Science and Engineering, KAIST, Korea (2017)

    BS Materials Science and Engineering, Physics (Dual), Hanyang University, Korea (2015)

    Research interest: AI for material design, Density functional theory, Electrocatalysis

    Papers from the CAIM Lab:

    • ACS Applied Materials & Interfaces (2025)

    • Nature Communications (2025)_1st author

    • ACS Energy Letters (2024)_1st author

    • Nature Communications (2024)_1st author

    • Journal of Materials Chemistry A (2024)_1st author

    • Nature Communications (2023)_1st author

    • Nature Communications (2023)

    • Applied Catalysis B: Environmental (2023)

  • Current position: Senior reseacher at Samsung Electronics

    Position at the CAIM Lab: Postdoctoral researcher

    Education:

    PhD Information and Telecommunication Technology (Engineering), KAIST, Korea (2019)

    MS Computer Science, Lancaster University, UK (2014)

    BS Computer Science, Sunway University, Malaysia (2012)

    Research interest: Deep learning, Object detection and segmentation, Self-driving (autonomous) material synthesis lab

    Papers (from the CAIM Lab):

    • Scientific Data (2025)

    • Advanced Functional Materials (2024)

    • npj Computational Materials (2024)_1st author

    • Acta Materialia (2023)_1st author

    • Journal of Physical Chemistry Letters (2021)_1st author

    • npj Computational Materials (2020)_1st author

Alumni (Graduate or equivalent-level training)

  • Current position: Postdoctoral researcher at KIST

    Education:

    PhD Materials Science and Engineering, Korea University, Korea (2026)

    BS Applied Chemistry, KyungHee University, Korea (2021)

    Research interest: Natural language processing, Machine learning, Catalyst

    Papers (from the CAIM Lab):

    • Digital Discovery (2026)

    • Advanced Science (2025)_1st author

    • Journal of Materials Chemistry A (2023)_1st author

  • Education:

    MS Materials Science and Engineering, Korea University, Korea (2025)

    BS Chemistry (minor in Materials Science), Yonsei University, Korea (2022)

    Research interest: Natural language processing, Machine learning, Catalyst

    Papers (from the CAIM Lab):

    Digital Discovery (2026)_1st author

  • Current position: Ph.D course at Northwestern University

    Education:

    MS Chemical and Biomolecular Engineering, Sogang University, Korea (2023)

    BS Chemical and Biomolecular Engineering, Sogang University, Korea (2021)

    Research interest: Self-driving lab

  • Current position: Research fellow at Australian National University (ANU)

    Education:

    PhD Australian National University (2023)

    MS Mathematics, École Polytechnique Fédérale de Lausanne (EPFL), Switzerland (2017)

    BS Mathematics, KAIST, Korea (2015)

    Research interest: Topological data analysis, Machine learning, Water

    Papers (from the CAIM Lab):

    • Journal of Physics: Condensed Matter (2019)_1st author

  • Current position: Postdoctoral researcher at Cornell University

    Education:

    PhD Materials Science and Engineering, KAIST, Korea (2023)

    MS Materials Science and Engineering, KAIST, Korea (2017)

    BS Materials Science and Engineering (Double major: Computer Science), KAIST, Korea (2015)

    Research interest: Machine learning, Catalysis, Photonics

    Papers (from the CAIM Lab):

    • Chemistry of Materials (2020)_1st author