Dr. Kim, Donghun 김동훈

Senior Research Scientist at Computational Science Research Center, KIST, Korea

PhD Materials Science and Engineering (Minor: Teaching), MIT, USA (2015) - Supervisor: Prof. Jeffrey C. Grossman

BS Materials Science and Engineering, POSTECH, Korea (2010) - Highest GPA Graduate in School of Engineering

E-mail: donghun [at] kist.re.kr | Work: +82-2-958-5463

Google Scholar Citations

Dr. Hong, Doosun 홍두선

Position: Postdoctoral researcher

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)

E-mail: doosun [at] kist.re.kr

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

Papers (from the group):
Oxygen reduction reaction, Under review
Methanol oxidation reaction, Under review^{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)

Dr. Choi, Jungwoo 최정우

Position: Postdoctoral researcher

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)

E-mail: woo0188 [at] kist.re.kr

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

Dr. Jeon, Mingyu 전민규

Position: Postdoctoral researcher (Co-advised with Dr. Jung-Hoon Lee at KIST)

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

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

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

E-mail: mingyu1116 [at] kist.re.kr

Personal Webpage: LINK

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

Choi, Jiwoo 최지우

Position: Graduate Student (Ph.D. Candidate in MSE Department of Korea University)

BS Applied Chemistry, KyungHee University, Korea (2021)

E-mail: chlwldn637 [at] kist.re.kr

Research interest: Natural language processing, Machine learning, Catalyst

Papers (from the group):
Advanced Science (2025)^{1st author}
Journal of Materials Chemistry A (2023)^{1st author}

Yi, Gyeong Hoon 이경훈

Position: Graduate Student (Ph.D. Candidate in MSE Department of Korea University)

BS Applied Chemistry, KyungHee University, Korea (2023)

E-mail: dlrudgnsdlek [at] kist.re.kr

Research interest: Natural language processing, Machine learning, Catalyst

Papers (from the group):
Advanced Science (2025)^{1st author}
Acta Materialia (2023)

Lee, Daegun 이대건

Position: Graduate Student (MS Candidate in MSE Department of Korea University)

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

E-mail: 092588 [at] kist.re.kr

Research interest: Natural language processing, Machine learning, Catalyst

Lee, Seunghan 이승한

Position: Research Intern

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

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

E-mail: shlee94 [at] kist.re.kr

Research interest: Self-driving lab

Dr. Tiong, Leslie Ching Ow 레슬리

Position: Postdoctoral researcher

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

MS Computer Science, Lancaster University, UK (2014)

BS Computer Science, Sunway University, Malaysia (2012)

E-mail: tiongleslie [at] kist.re.kr

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

Papers (from the group):
Advanced Functional Materials (2024)
npj Computational Materials (2024)^{1st author}
Acta Materialia (2023)^{1st author}
The Journal of Physical Chemistry Letters (2021)^{1st author}
npj Computational Materials (2020)^{1st author}

Song, Hyeongyun 송형윤

Position: Research Intern

MS Organic Material Science and Engineering, Pusan University, Korea (2023)

BS Organic Material Science and Engineering, Pusan University, Korea (2021)

E-mail: hysong [at] kist.re.kr

Research interest: Natural language processing, Machine learning, Catalyst

Papers (from the group):
Advanced Science (2025)^{1st author}

Kim, Minyoung 김민영

Position at KIST: Research Intern

BSc Chemical Engineering and Materials Science, Ewha Womans University (2022)

Research interest: Density functional theory, Catalyst

Papers (from the group):
Methanol oxidation reaction, Under review

Jang, Suji 장수지

Position at KIST: MS Candidate (KU-KIST program)

BS Electronic and IT Media Engineering, Seoul National University of Science and Technology (SEOULTECH), Korea (2021)

Research interest: Natural Language Processing, Deep Learning, Catalyst

Papers (from the group):
Journal of Materials Chemistry A (2023)

Hong, Sungyeon 홍성연

Position at KIST: Research Intern

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 group):
Journal of Physics: Condensed Matter (2019)^{1st author}

Kim, Myungjoon 김명준

Position at KIST: Research Intern

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 group):
Chemistry of Materials (2020)^{1st author}