프로그램
세션 트랙
10월 20일 (수요일)
전산1
전산재료과학
좌장 : 김현유(충남대학교) 09:30-10:40
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전산1-1
09:30
Quantum chemical analysis on surface chemistry of atomic layer deposition (ALD) processes 
Bonggeun Shong* (Hongik University)
전산1-2학생구두발표
09:55
Evaluation of surface reduction of oxide substrates by trimethylaluminum: a DFT study  
Hyobin Eom, Woojin Bae, and Bonggeun Shong* (Hongik University)
전산1-3
10:10
Synergistic Metal-Oxide Interactions of Hybrid Catalysts for High-Performance Water Electrolysis: A Density Functional Theory Study
Byung-Hyun Kim* (Korea Institute of Energy Research)
전산1-4학생구두발표
10:25
The Origin of Al Leaching Capability Depending on Ni-Al Compositions and Enhanced Hydrogen Evolution Performance of Raney Nickel: A Density Functional Theory Study
Kwangsoo Kim (Korea Institute of Energy Research, Yonsei University), Hyun-Seok Cho (Korea Institute of Energy Research), Jong Hyeok Park (Yonsei University), and Byung-Hyun Kim* (Korea Institute of Energy Research)
10월 20일 (수요일)
전산2
전산재료과학
좌장 : 홍기하(한밭대학교) 10:55-11:40
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전산2-1학생구두발표
10:55
Screening Pb-free Inorganic Perovskites for Promising Photovoltaic Materials via First-principles Calculations
Wonzee Jung and Kanghoon Yim* (Korea Institute of Energy Research)
전산2-2
11:11
Lattice thermal conductivity in charge density waves
JaeHyun Yun* and Jong-Soo Rhyee* (Kyung Hee univ.)
전산2-3학생구두발표
11:25
제일원리계산을 이용한 MoS2 및 WS2의 CO 유도 상전이 메커니즘 연구
홍덕기, 이성우 (서울대학교), 남대현* (대구경북과학기술원), 이건도* (서울대학교), 주영창* (서울대학교, 차세대융합기술연구원)