제12회 고등과학원

전자구조계산학회

 June 16-17, 2016

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6월 16일 (목)

08:30 - 09:20 등록 및 아침식사

09:20 - 09:30 환영인사

Session I: Magnetoelectric Effect  좌장: 장기주 (한국과학기술원)

09:30 - 10:10 임지순 (포항공대)
Axion electrodynamics at the edge of topological insulators
10:10 - 10:50 이재광 (부산대)
Ab initio study of interfacial magnetoelectric effect in oxide superlattice

10:50 - 11:20 휴식

Session II: Methods and Applications 좌장: 방준혁 (한국기초과학지원연구원)

11:20 - 12:00 김우연 (한국과학기술원)
Development of a DFT code using Lagrange-sinc functions as a basis set
12:00 - 12:40 김현우 (한국화학연구원)
Mixed Quantum-classical Approach for Simulating the Nonadiabatic Dynamics in Photosynthetic Systems

12:40 - 14:00 점심식사

Session III : Dirac materials 좌장: 이주형 (광주과학기술원)

14:00 - 14:40 백승수 (고등과학원)
Emergence of two-dimensional massless Dirac fermions and Fermi level matching with Dirac points in alkaline-metal doped few-layer black phosphorus
14:40 - 15:20 진호섭 (울산과학기술원)
Graphene analogue in BaBiO3 (111)-bilayer heterostructures for topological electronics

15:20 - 15:40 휴식

Session IV: Correlated Materials 좌장: 한명준 (한국과학기술원)

15:40 - 16:20 민병일 (포항공대)
Electronic structures and topological properties of f-electron mixed- valent/Kondo systems
16:20 - 17:00 이관우 (고려대)
Localization and spin-orbit coupling in transition metal oxides

17:00 - 20:00 포스터 세션+뱅큇
좌장: 손영우 (고등과학원)

6월 17일 (금)

08:30 - 09:30  아침식사 및 등록

Session V: Energy Materials 1 좌장: 김덕영 (Center for High Pressure Sci. & Tech. Advanced Research, Shanghi, China)

09:30 - 10:10 한승우 (서울대)
Two dimensional dichalcogenides for hydrogen production
10:10 - 10:50 김지한 (한국과학기술원)
Modelling Structural Deformation of Metal Organic Frameworks Using the Big Data Feature Space

10:50 - 11:20 휴식

Session VI : Semiconductor Industry 좌장: 강준구 (대구경북과학기술원)

11:20 - 12:00 이규호 (Synopsys, Inc. USA)
Multiscale simulation of point defects in semiconductors
12:00 - 12:40 안효신 (Samsung Electronics)
Ab initio modeling in semiconductor industry: application and limitation

12:40 - 14:00 점심식사

Session VII: Energy Materials 2 좌장:이근식 (울산과학기술원)

14:00 - 14:40 최운이 (삼성종합기술원)
Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons
14:40 - 15:20 홍기하 (한밭대)
Theoretical Investigation on the Stability and Defects of Organic- Inorganic Hybrid Perovskites

15:20 - 15:40 휴식

Session VIII: Optical properties 좌장: 임성현 (울산대학교)

15:40 - 16:20 이준희 (울산과학기술원)
Record-high spin-driven polarizations and one way optical transparency in BiFeO3 from first principles
16:20 - 17:00 박철환 (서울대)
Spin-orbit coupling, photoemission and light absorption from first- principles calculations

17:00 - 17:10 폐회 및 우수 포스터 시상식
좌장: 이성훈 (기초과학연구원)