About Lab.
The Integrated Computational Materials Engineering Lab at the Graduate School of Steel, Energy and Materials, Pohang University of Science and Technology, focuses on the development of various structural metal alloys. Specifically, we are conducting research to search for new elements and optimize microstructures by utilizing various computational material simulation techniques and artificial intelligence from the atomic scale to the microscale. The properties of alloys developed through various computational simulation techniques are verified through experiments, and various experiments are also conducted to verify the predicted microstructure and compositional changes in the alloy. The greatest strength of the laboratory is that it provides experience in various research methods such as theory, calculation, and experimentation.
- “First-principles calculations of bulk and interfacial thermodynamic properties of the T1 phase in Al-Cu-Li alloys” B. Na, B-C. Zhou, C. Wolverton, K. Kim* Scripta Materialia 202 (2021), 114009
- “Phase-field model of oxidation: Kinetics” K. Kim, Q.C. Sherman, L.K. Aagesen, P.W. Voorhees* Physical Review E 101 (2020), 022802
- “Machine-learning-accelerated high-throughput materials screening: Discovery of novel quaternary Heusler compounds” K. Kim1, L. Ward1, J. He, A. Krishna, A. Agrawal, C. Wolverton* Physical Review Materials 2 (2018), 123801
- “Energetics of native defects, solute partitioning, and interfacial energy of Q precipitate in Al-Cu-Mg-Si alloys” K. Kim, A. Bobel, V. Brajuskovic, B-C. Zhou, M. Walker, G.B. Olson, C. Wolverton* Acta Materialia 154 (2018), 207-219
- “Ostwald ripening of spheroidal particles in multicomponent alloys” K. Kim, P.W. Voorhees* Acta Materialia 152 (2018), 327-337
- “First-principles study of crystal structure and stability of T1 precipitates in Al-Li-Cu alloys” K. Kim, B-C. Zhou, C. Wolverton* Acta Materialia 145 (2018), 337-346
- “First-principles/Phase-field modeling of precipitation in Al-Cu alloys” K. Kim*, A. Roy, M.P. Gururajan, C. Wolverton, P.W. Voorhees* Acta Materialia 140 (2017), 344-354
About Prof.
Profile
- 2021.07 – Present Assistant Professor, Graduate School of Steel Energy Materials, POSTECH
- 2020.03 – 2021.06 Assistant Professor, Department of Materials Science and Engineering, Inha University
- 2019.06 – 2020.01 QuesTek Innovations LLC, Materials Design Engineer
- 2017.09 – 2019.06 Northwestern University, Postdoctoral Fellow
Education
- 2013.09 – 2017.08 Department of Materials Science and Engineering, Northwestern University/Ph.D.
- 2011.03 – 2013.02 KAIST, Department of Materials Science and Engineering/Master's
- 2004.03 – 2011.02 Hanyang University, Department of Materials Science and Engineering/Bachelor
Major Research Areas
- Multiscale modeling of phase transformations in metals and alloys
- Computational design and discovery of new materials
- High-throughput discovery of new materials
- Machine-learning-assisted materials discovery
- High-throughput first-principles-calculations based cathode design
- Phase-field modeling based micro structure optimization in battery materials