People

Current members

Full-time researchers

Seung Hun Lee (이승헌)

Research Professor (Oct 2026 – ) The Institute for High Technology Materials and Devices, Korea University

Senior Researcher (Mar 2015 – Dec 2016), Department of Plasma Diagnostics, National Fusion Research Institute

Researcher (Aug 2011 – Feb 2015), Natural Science Research Institute, KAIST

PhD (Mar 2006 – Aug 2011) Physics, KAIST

MS (Mar 2004 – Feb 2006) Physics, KAIST

BS (Mar 2000 – Feb 2004) Physics, POSTECH

Research Areas

Multi-scale modeling and simulation of plasma-facing materials

Full-time graduate students

Jong-Hoon Park (박종훈)

PhD (Mar 2026 – ) Materials Science and Eng., Korea University

MS (Mar 2024 – Feb 2026) Materials Science and Eng., Inha University

BS (Feb 2024) Materials Science and Eng., Inha University

Research Areas

Multi-scale modeling and simulation of structural materials

Click to view a list of achievements

J.-H. Park, H.-J. Jo, H.-H. Ahn, D.-H. Kim, M.-W. Kang, Y. Kim, W.-S. Ko*, Atomistic simulation study of tramp element effects on liquid metal penetration in Fe–Cu–X systems, Acta Materialia 313 (2026) 122296.
W. S. Choi+, W.-S. Ko+*, Y. Park+, E. L. Pang, J.-H. Park, H.-H. Ahn, Y. Ikeda, P.-P. Choi, B. Grabowski, Finely tunable thermal expansion of NiTi by stress-induced martensitic transformation and thermomechanical training, Acta Materialia 302 (2026) 121623.

<Award>

2024 대한금속재료학회 추계학술대회 우수구두발표상 (2024.10)

Jae Hur (허재)

Integrated MS / PhD (Sep 2024 – ) Materials Science and Eng., Korea University

BS (Aug 2024) Materials Science and Eng., Inha University

Research Areas

Computational design of energy storage materials, Machine learning potential

Click to view a list of achievements

J. Hur+, R.-H. Kwak+, S.-H. Park, T.-W. Na, G. Xu, H.-K. Park*, W.-S. Ko*, Predicting plateau slope in metal hydrides from first-principles: hydrogen energy and charge distributions in TiMn2-based alloys, Submitted.
H.-H. Ahn+, J. Hur+, G. Xu*, W.-S. Ko*, Atomistic insights into structural ordering effects on martensitic transformations in Mg-Sc shape memory alloys, Acta Materialia 306 (2026) 121929.
M.-S. Yoon, J. Hur, S.-H. Park, U.-J. Lee, G. Xu, H.-K. Park, B.-C. Suh*, Y. M. Kim*, W.-S. Ko*, Role of solute elements in Mg-Mg2Ni hydrogen storage alloys: A first-principles calculation study, Journal of Magnesium and Alloys 12 (2024) 4574-4593.
W.-S. Ko*, J. Hur, J.-Y. Hwang, Y.-B. Chun*, Atomistic investigation of phase transformations in NiTiCu shape memory alloys, International Journal of Mechanical Sciences 274 (2024) 109256.
W.-S. Ko*, M.-S. Yoon, J. Hur, R.-H. Kwak, T.-W. Na, H.-K. Park*, Density functional theory study on the role of ternary alloying elements in TiMn2-based hydrogen storage alloys, International Journal of Hydrogen Energy 63 (2024) 151-162.

<Award>

iHSM3 (The 3rd International Conference on Heterostructured Materials) conference, Best Poster Award (2026.07)
2024 대한금속재료학회 추계학술대회, 우수포스터발표상 (2024.10)

Seo-Hui Park (박서희)

MS (Mar 2025 – ) Materials Science and Eng., Korea University

BS (Feb 2025) Materials Science and Eng., Inha University

Research Areas

Data-driven research of energy storage materials

Hoon-Min Cho (조훈민)

MS (Mar 2025 – ) Materials Science and Eng., Korea University

BS (Feb 2025) Materials Science and Eng., Inha University

Research Areas

Computational design of shape-memory alloys

Hye-Ji Jo (조혜지)

MS (Mar 2026 – ) Materials Science and Eng., Korea University

BS (Feb 2026) Materials Science and Eng., Inha University

Research Areas

Computational design of materials, EMTO-CPA method

Ha-Min Kim (김하민)

Integrated MS / PhD (Sep 2026 – ) Materials Science and Eng., Korea University

BS (Aug 2026) Materials Science and Eng., Korea University

Research Areas

Computational study of metal–polymer interfacial adhesion

Dong-Hyun Kim (김동현)

Integrated BS / MS (Mar 2026 – ) Materials Science and Eng., Korea University

BS (Feb 2027) Materials Science and Eng., Korea University

Research Areas

Deformation mechanisms of structural materials

Full-time graduate students (Co-supervising)

Jubae Kong (공주배)

Integrated MS / PhD (Mar 2026 – ) Materials Science and Eng., Korea University

Korea Institute of Ceramic Engineering and Technology (KICET)

Research Areas

Simulation and data-driven research of ceramic materials

Jeyeong Kwon (권제영)

MS (Mar 2026 – ) Materials Science and Eng., Korea University

Korea Institute of Industrial Technology (KITECH)

Research Areas

Water electrolysis catalyst

InU Hwang (황인우)

MS (Mar 2026 – ) Materials Science and Eng., Korea University

Korea Institute of Science and Technology (KIST)

Research Areas

Metallic hydrogen separation membranes

Undergraduate students

조용경 (4학년)

김정윤 (3학년)

고은결 (3학년)

김예원 (3학년)

Part-time graduate students

Previous members

윤민석 (석사, 2024.03 - 2026.02)

- 연구주제: DFT calculations of Mg-based hydrogen storage alloys (Click to view a list of achievements)

M.-S. Yoon, W.-S. Ko*, Recent advances in computational materials science approach for optimal design of hydrogen storage alloys, Ceramist 28 (2025) 700-713.
M.-S. Yoon, J. Hur, S.-H. Park, U.-J. Lee, G. Xu, H.-K. Park, B.-C. Suh*, Y. M. Kim*, W.-S. Ko*, Role of solute elements in Mg-Mg2Ni hydrogen storage alloys: A first-principles calculation study, Journal of Magnesium and Alloys 12 (2024) 4574-4593.
W.-S. Ko*, M.-S. Yoon, J. Hur, R.-H. Kwak, T.-W. Na, H.-K. Park*, Density functional theory study on the role of ternary alloying elements in TiMn2-based hydrogen storage alloys, International Journal of Hydrogen Energy 63 (2024) 151-162.

안혜현 (석사, 2024.03 - 2026.02)

- 연구주제: Atomistic simulations of Mg-based shape-memory alloys (Click to view a list of achievements)

J.-H. Park, H.-J. Jo, H.-H. Ahn, D.-H. Kim, M.-W. Kang, Y. Kim, W.-S. Ko*, Atomistic simulation study of tramp element effects on liquid metal penetration in Fe–Cu–X systems, Acta Materialia 313 (2026) 122296.
H.-H. Ahn+, J. Hur+, G. Xu*, W.-S. Ko*, Atomistic insights into structural ordering effects on martensitic transformations in Mg-Sc shape memory alloys, Acta Materialia 306 (2026) 121929.
W. S. Choi+, W.-S. Ko+*, Y. Park+, E. L. Pang, J.-H. Park, H.-H. Ahn, Y. Ikeda, P.-P. Choi, B. Grabowski, Finely tunable thermal expansion of NiTi by stress-induced martensitic transformation and thermomechanical training, Acta Materialia 302 (2026) 121623.

이정수 (석사 후 병역특례 연구원, 2020.03 - 2023.06)

- 연구주제: Atomistic simulations of shape-memory alloys and Mg alloys (Click to view a list of achievements)

- Current position: 막스플랑크 연구소 (Max-Planck-Institut Für Eisenforschung) 박사과정

J. S. Lee, G. Xu, J. S. Suh, J. H. Bae, B.-C. Suh*, Y. M. Kim*, W.-S. Ko*, B.-J. Lee, Atomistic investigation into the formation of axial weak twins during compression of single crystal Mg nanopillars, Acta Materialia 263 (2024) 119512.
J. S. Lee, W.-S. Ko*, B. Grabowski, Atomistic simulations of the deformation behavior of an Nb nanowire embedded in a NiTi shape memory alloy, Acta Materialia 228 (2022) 117764.
J. S. Lee, Y.-B. Chun*, W.-S. Ko*, Molecular Dynamics Simulations of PtTi High-Temperature Shape Memory Alloys Based on a Modified Embedded-Atom Method Interatomic Potential, Materials 15 (2022) 5104.
W.-S. Ko*, J. S. Lee, D.-H. Kim*, Atomistic simulations of Ag-Cu-Sn alloys based on a new modified embedded-atom method interatomic potential, Journal of Materials Research (2022) 1-17.

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