A short biography

Seho Yi joined KIST as a post-doc research scientist in February 2021. My research objective is to help solving urgent national needs in sustainable energy, environment, and technology by various techniques; i) first-principles density-functional theory calculation, ii) material searching, and iii) scientific programming (Fortran and Python). Research areas cover various structural, electronic, phononic, and magnetic properties of a broad range of solid-state materials including metals, semiconductors, insulators, and various nanomaterials. In particular, i) I studied nano-physics behind novel two-dimensional structures such as transition-metal dichalcogenides, electrides, and two-dimensional allotropes of various elements. ii) I investigated the bonding, electronic, and phononic properties of the hydride-based high-temperature superconductors. iii) Recently, I try to reveal the microscopic mechanism for phase transitions of the halide perovskites under external perturbations. iv) Also, I’m interested in finding the reaction mechanism of the CO2-captured metal-organic frameworks.