Welcome to the Materials Theory Group (재료 이론 연구실) in the Department of Materials Science and Engineering (신소재공학과) of Yonsei University (연세대학교), Seoul, KOREA
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Our goal is to acquire a detailed understanding of the fundamental science to engineer and design complex materials |
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, atomic, electronic, and magnetic properties of polyatomic systems. The processes that occur at surfaces play a critical role in the manufacturing and performance of advanced materials (electronic, magnetic and optical devices, sensors, catalysts, and hard coatings). The research methods developed and knowledge gained will have vast applications in a wide range of physiochemical and materials science problems.
Please click on the figures above for more information on our research
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저희 연구실은 재료 시뮬레이션, 머신러닝 방법론 등을 이용하여 다양한 소재들과 그 표면에서 일어나는 현상을 탐구합니다. 구체적으로, 고성능 슈퍼컴퓨팅 기술과 조합되어 다양한 소재와 계면에서의 화학 반응, 열역학 성질, 원자 구조, 전자 구조, 자기적 성질 등의 예측 및 규명을 합니다. 특히 전자 기기, 자기 장치, 광학 센서, 촉매 등 다양한 응용 분야를 이해하는데 있어 중요한 표면 물성에 중점을 두고 있습니다. 저희 연구실에서 습득한 연구 방법들과 지식들을 통하여 여러 학계 산업계, 연구원 등 다양한 진로로 나아갈 수 있습니다. |
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Recent publications from the Materials Theory Group!
Nature Communications 13, 3171 (2022)
Open Access News flash! Structure-property relationships in nanoporous and amorphous iridium oxides |
Advanced Science 9, 2104569 (2022)
Open Access |
Journal of Materials Chemistry C 10, 10500 (2022)
This article is part of the themed collection: Journal of Materials Chemistry C HOT Papers |
Nature Materials 20, 533 (2021)
News flash! Liquid metal ink liberates form |