People behind the research

Our team

Connecting fundamental chemistry, computational methods and materials science.

Principal investigator

Yonghyuk Lee

Yonghyuk Lee

Assistant Professor

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Postdoctoral researchers

Interested in postdoctoral research at CCML? Explore opportunities →

Graduate students

Seohyun Koo

구서현

Integrated B.S.–M.S. Program학석사 통합과정

Current research

  • MLIP simulations of segregation and catalytic activity in crystalline Ir–Ru–O
  • Structural descriptors for perovskitoids

Undergraduate researchers

Sangyeob Kim

김상엽

Undergraduate Researcher학부연구생

Current research

  • Research database development, integration and standardization
  • 2D transition-metal dichalcogenide catalysts: single atoms and high-entropy systems

Heesun Choi

최희순

Undergraduate Researcher학부연구생

Current research

  • Machine-learning prediction of experimental spectra
  • Active learning for experimental design
  • Research database management

Yoojin Choi

최유진

Undergraduate Researcher학부연구생

Current research

  • Reverse water-gas shift reaction mechanisms
  • Structural descriptor development

Join our team

Explore research opportunities in computational chemistry and materials science.

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