프로그램
세션 트랙
4월 28일 (목요일)
전산3
전산재료과학
좌장 : 홍기하(한밭대학교) 13:10-14:45
화상강의실 바로가기
화상강의실 비밀번호는 kim2022입니다
전산3-1
13:10
반도체 양자점의 발광 스펙트럼 예측을 위한 제일원리계산 방법
강영호* (인천대학교), 강성우, 한승우 (서울대학교)
전산3-2
13:35
Flat Phonon Band-Driven Randomization of Octahedral Tilting Patterns under Compression in Metal Halide Perovskite CsPbI3
Seho Yi and Jung-Hoon Lee* (Korea Institute of Science and Technology (KIST))
전산3-3학생구두발표
14:00
High-Throughput Screening of Bi-based Halide Perovskite Materials for Development of Photovoltaics and Light-Emitting Diodes by First Principle Calculations
박종구, 박상우 (국립한밭대학교 신소재공학부 응용소재공학전공), 민경하, 홍성인 (국립한밭대학교 신소재공학과), 홍기하* (국립한밭대학교 신소재공학부 응용소재공학전공, 국립한밭대학교 신소재공학과)
전산3-4학생구두발표
14:15
Influence of Crystalline Structure on Photodynamics in Halide Perovskites: Ab Initio Time-Domain Study
Yoonhoo Ha (Korea Advanced Institute of Science and Technology), Jong-Goo Park, Ki-Ha Hong* (Hanbat National University), and Hyungjun Kim* (Korea Advanced Institute of Science and Technology)
전산3-5학생구두발표
14:30
Exploring undiscovered material space with SPINNER: application to missing ternary metal oxides
황승우, 강성우, 정지수, 홍창호, 김재훈, 문민석, 박유택, 한승우* (서울대학교)
4월 28일 (목요일)
전산4
전산재료과학
좌장 : 강영호(인천대학교) 14:55-16:45
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화상강의실 비밀번호는 kim2022입니다
전산4-1
14:55
High-throughput Screening Protocol for Discovery of Novel Catalysts
여병철* (부경대학교)
전산4-2
15:20
Design of Metal-doped 2D Materials for A Superior Oxygen Reduction Reaction Catalyst: from Density Functional Theory and Data Analysis to Experiment
Byung-Hyun Kim* (Korea Institute of Energy Research) and Myeongjin Kim (Kyungpook National University)
전산4-3
15:45
Remarkably Enhanced Oxygen Eolution Activity of CaCu3Ti4O12 via Ir Doping: A Density Functional Theory Study  
Kwangsoo Kim (Korea Institute of Energy Research, Yonsei University), Byeong-Seon An, Hyun-Seok Cho (Korea Institute of Energy Research), Jong Hyeok Park (Yonsei University), Hyuksu Han* (Konkuk University), and Byung-Hyun Kim* (Korea Institute of Energy Research)
전산4-4
16:00
Elucidating the proton conduction mechanism in Ba5Er2Al2ZrO13 with intrinsically oxygen-deficient layers
Yong Youn* and Hye-Sung Kim (Korea Institute of Energy Research)
전산4-5학생구두발표
16:15
백금 단원자 촉매를 활용한 일산화탄소의 선택적 산화 제거
최혁, 강은지, 이주혁, 윤지은, 김종석, 최예정 (충남대학교), 김상우, 정우철 (KAIST), 김현유* (충남대학교)
전산4-6학생구두발표
16:30
Theoretical Insights into the Possibility as a Single-Atom Catalyst of Pt1/TiC using Hydrogen Passivation Layer for the Hydrogen Evolution Reaction
Seong Chan Cho, Chi Ho Lee, and Sang Uck Lee* (hanyang university)