Welcome to the Materials Theory Group (재료 이론 연구실) in the Department of Materials Science & Engineering (신소재공학과) of Yonsei University (연세대학교), Seoul, Republic of Korea

Our group's focus is on ab initio investigations of materials and surface science phenomena. First-principles electronic structure calculations (with machine learning approaches) are used in conjunction with high-performance computing to probe chemical reactions at surfaces and interfaces, exploring the energetics, (opto)electronic, and other novel properties of polyatomic systems. 

The processes that occur at surfaces and interfaces play a critical role in the manufacturing and performance of advanced materials. The research methods developed and knowledge acquired will have vast array of applications in materials science and engineering.

Recent research highlights from the Materials Theory Group