Our research focuses on the design and discovery of novel advanced materials using state-of-the-art computational and theoretical methods, broadly classified into these research themes:


저희 연구실은 최신의 전산재료과학 및 재료이론 연구 방법론들을 고성능 슈퍼컴퓨터의 사용과 접목하여 차세대 기능성 신소재 설계 및 탐구를 진행하고 있습니다. 특히 중점적으로 연구하고 있는 연구 주제들은 다음과 같습니다.

Ab initio characterization of surfaces and interfaces in complex materials

Representative publications

This version of the article has been accepted for publication, after peer review (when applicable) and is subject to Springer Nature’s AM terms of use, but is not the Version of Record and does not reflect post-acceptance improvements, or any corrections. The Version of Record is available online at: http://dx.doi.org/10.1038/s41929-023-01088-y

News flash! Structure-property relationships in nanoporous and amorphous iridium oxides

This version of the article has been accepted for publication, after peer review (when applicable) and is subject to Springer Nature’s AM terms of use, but is not the Version of Record and does not reflect post-acceptance improvements, or any corrections. The Version of Record is available online at: https://doi.org/10.1038/s41563-020-00863-7

News flash! Liquid metal ink liberates form

Multifarious computational design of complex materials from first-principles

Representative publications

News flash! 소재 구성의 준랜덤(quasi-random) 분포를 통해 열전 성능 지수 132% 증진 | 소재 분야 권위 있는 국제 학술지 ‘Nano Energy’ 게재

This article is part of the themed collection: Journal of Materials Chemistry C HOT Papers

Modern machine learning methods and models for digital materials science

Representative publications