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People / Dong-Hwa Seo
Dong-Hwa Seo

Principal Investigator

Dong-Hwa Seo

Computational Materials Design & Discovery Lab

[email protected] ↗

Dong-Hwa Seo (서동화)

Associate professor 

Department of Materials Science and Engineering

Korea Advanced Institute of Science and Technology (KAIST)

Office: W1, Rm. 2412, 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea 

Tel: +82-42-350-3312

Email: dseo at kaist.ac.kr

Research interests

Atomistic design and characterization of electrode and electrolyte materials for rechargeable lithium, sodium and potassium batteries using first-principles calculations.

Data-driven development of functional materials using machine-learned interatomic potentials and experimental datasets.

Autonomous materials discovery using AI, robotics and automated synthesis, analysis and cell fabrication for liquid electrolytes, solid electrolytes and cathode materials.

Research experience

KAIST, Daejeon, Republic of Korea: Associate professor (2023.05 ~ )

POSCO Distinguished Professor of Energy Materials, POSCO Group.

UNIST, Ulsan, Republic of Korea: Assistant professor (2019.12 ~ 2023.04)

Samsung Research America, Advanced Materials Lab, Burlington, MA, USA: Senior Research Engineer (October 2017 – November 2019)

University of California, Berkeley / Lawrence Berkeley National Laboratory, Berkeley, CA, USA: Associate Specialist (January 2016 – September 2017; PI: Prof. Gerbrand Ceder)

Massachusetts Institute of Technology, Cambridge, MA, USA: Postdoctoral Researcher (September 2013 – December 2015; PI: Prof. Gerbrand Ceder)

Research Institute of Advanced Materials, Seoul National University, Seoul, Republic of Korea: Postdoctoral Researcher (February 2011 – August 2013; PI: Prof. Kisuk Kang)

Education

Korea Advanced Institute of Science and Technology, Daejeon, Republic of Korea

        Ph.D., Department of Materials Science and Engineering (Feb. 2009 ~ Jan. 2011, advisor: Prof. Kisuk Kang)

Doctoral thesis: First Principles Study on the Polyanion Electrode Materials for Lithium Rechargeable Batteries.

        M.S., Department of Materials Science and Engineering (Mar. 2007 ~ Jan. 2009, advisor: Prof.Hyuck Mo Lee)

Master’s thesis: Molecular dynamics simulation of the diffusion of Au and Pt nanocluster on CNT.

Pusan National University, Busan, Republic of Korea

        B.S., Department of Materials Science and Engineering (Mar. 2000 ~ Feb. 2007)

Honors and Awards

Asia Pacific Academy of Materials (APAM) Associate Academicians (2023)

Highly Cited Researchers (HCR), Cross-field, Clarivate (2022)

POSCO Science Fellowship, POSCO TJ Park Foundation (2022~2024)

IBA Early Career Award, International Battery Association Conference, Jeju Island, S. Korea, March 2018

- For outstanding contributions to the design of electrode and electrolyte materials by using combined atomistic modeling and machine/deep learning methods

National Research Fellowship, National Research Foundation (NRF) of Korea (2014~2015)

Book chapter

Dong-Hwa Seo, Inchul Park and Kisuk Kang. First Principles Approach for Cathode Design and Characterization, pp. 223–254. In Electrochemically Enabled Sustainability: Devices, Materials and Mechanisms for Energy Conversion, edited by Kwong-Yu Chan and Chi-Ying Vanessa Li. CRC Press, 2014. ISBN 978-1466575431.

Publications

149 journal papers1 preprint24,036 Google Scholar citations ↗19,314 Web of Science citations ↗61 h-index · Google Scholar

Citation metrics checked 2026-09-25.

Full publication list →

Patents

Granted patents in the listed records: 19 US, 2 EP, 4 CN, 2 JP, 21 KR

Applications without a recorded grant: 4 US, 10 EP, 9 CN, 1 JP, 18 KR, 1 HU, 1 PL

Current legal status is not confirmed for every record.

Full patent list →

News & activities

  • October 2026

    Two complementary studies in Nature Communications and Advanced Science connect continued moisture-induced degradation in Li6PS5Cl to local tetrahedral rotations. Al and Se co-substitution improves air stability by suppressing these rotations and making water adsorption less favorable. Dong-Hwa Seo shares the findings and acknowledges Yoon-Seong Kim and collaborators across both studies.
  • December 2025

    Dong-Hwa joined Energy Storage Materials (Impact Factor 20.2, JCR top 4.7%) as an advisory Editorial Board member, where he will contribute expertise in artificial intelligence, data driven materials discovery, and their application to advanced energy storage materials.
  • December 2025

    Dong-Hwa won the 2025 College of Engineering Technology Innovation Award from KAIST (2025년 공과대학 기술혁신상, 우수상) and excellence prize of 2025 KAIST Global Research Cooperation Awards (KAIST 글로벌 연구 협력상, 우수상).
  • October 2025

    Prof. Dong-Hwa Seo was invited to the Korean Academy of Science and Technology (KAST) Roundtable on “AI × Materials Science” on October 21, 2025, and participated in discussions on the strategic implementation and operation of AI laboratories, the importance of integrating domain knowledge with AI technologies, and the ethical and technical challenges of data sharing in the industrial sector. (연합뉴스, EBN, 디지털데일리 등)
  • January 2024

    Prof. Dong-Hwa Seo was invited at 48th International Conference and Exposition on Advanced Ceramics and Composites conference (ICACC 2024), January 31, 2024 at the Hilton Daytona Beach Resort and Ocean Center in Daytona Beach, Florida, USA and delivered a presentation on the topic of “Nanocomposite Engineering of Heterogeneous Mn-based Cation-Disordered Cathodes for High-Performance and Low-Cost Lithium-ion Batteries”. 
  • October 2023

    Prof. Dong-Hwa Seo was invited at the 6th International Conference on Molecular Simulation (ICMS 2023), October 9, 2023 at National Taiwan University, Taipei, Taiwan and delivered a presentation on the topic of "First-principles Study on the Stabilization of Oxidized Lattice Oxygen for High-Energy Li-Rich Cathodes". 
  • December 2, 2019

    Dr. Dong-Hwa Seo has joined School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST) as an assistant professor.
All lab news →

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