워크샵일정
8:50 –
9:00 고등과학원 원장 환영인사
Session 1:
Computational Method I: Electronic Structures: 좌장 한승우 (서울대학교)
Talk 1. 09:00 – 09:30 장기주 (한국과학기술원 물리학과)
Electronic structure
calculations for high-k/Si and high-k/metal gate stacks
Talk 2. 09:30 – 10:00 윤미나 (미국 오크리지 국립연구소)
Hybrid density
functional theory meets quasiparticle calculations: a consistent electronic
structure approach
Talk 3. 10:00 – 10:30 전건상 (이화여자대학교 물리학과)
Application of
Cellular Dynamical Mean-Field Theory to Correlated Systems
Coffee
Break 10:30 – 10:50
Session 2:
Surfaces and Interfaces I : 좌장 이승미 (한국표준연구원)
Talk 4. 10:50 – 11:20 정석민 (전북대학교 물리학과)
Interaction
between CNTs and sapphire surfaces with aligned configurations
Talk 5. 11:20 – 11:50 A. Soon (연세대학교 신소재공학부)
Mitigation of CO poisoning on functionalized Pt1/TiN surfaces
Talk 6. 11:50 – 12:20 김귀선 (미국 국립신재생에너지 연구소)
TBA
Lunch
12:20 – 13:30
Session 3:
Topological Materials : 좌장 우성종 (고등과학원)
Talk 7. 13:30 – 14:00 유재준 (서울대학교 물리천문학부)
Topological
Insulator Phase and Quantum Magnetism in the Jeff=1/2 Ground State of A2IrO3 (A=Na,
Li)
Talk 8. 14:00 – 14:30 최형준 (연세대학교 물리학과)
Density-functional study of
topological insulators with defects
Coffee
Break 14:30 – 14:40
Session
4: Computational Method II: Transport : 좌장 김우연 (한국과학기술원)
Talk 9. 14:40 – 15:10 김세중 (고등과학원)
Inelastic
Transport in Molecular Junctions From First Principles
Talk 10. 15:10 – 15:40 신민철 (한국과학기술원 전기 및 전자공학과)
Nano-scale device
simulations: simple yet meaningful connection with first-principles
calculations
Coffee
Break 15:40 – 16:00
Session 5:
Strongly Correlated Materials : 좌장 홍순철 (울산대학교)
Talk 11. 16:00 – 16:30 심지훈 (포항공과대학교 화학과)
Dual
nature of f-electrons in solid: Lanthanides and Actinides
Talk 12. 16:30 – 17:00 이관우 (고려대학교 디스플레이-반도체 물리학과)
Computational Search for
Compensated Half-metals
Coffee
Break 17:00 – 17:10
Session 6: Special invited talk: 좌장 이성훈 (삼성종합기술원)
Talk 13. 17:10 – 18:00 현창봉 (고등과학원)
Understanding
Biological Systems Using Molecular Simulations
Poster
Session & Banquet 18:30 – 20:30
Session 7:
Energy Materials I: 좌장 권영균 (경희대학교)
Talk 14. 09:00 – 09:30 이맹은 (삼성 SDI)
Novel Additives to
Improve the High Temperature Performance of Lithium Ion Batteries Using the
Density Functional Theory Calculation
Talk 15. 09:30 – 10:00 한병찬 (대구경북과학기술원 에너지시스템공학과)
Ab-initio and Multi-scale Computational
Design of Renewable Energy Materials
Talk 16. 10:00 – 10:30 이훈경 (건국대학교 물리학과)
Computational study of nanomaterials for energy storage
Coffee
Break 10:30 – 10:50
Session 8:
Computational Method III: Algorithms and Quantum Chemistry: 좌장 김용훈 (한국과학기술원)
Talk 17. 10:50 – 11:20 정유성 (한국과학기술원 EEWS 대학원)
Predictive Materials Science by Density Functional
Theory: Accelerating New Discovery
Talk 18. 11:20 – 11:50 이인호 (한국표준과학연구원)
Conformational
changes in molecules
Talk 19. 11:50 – 12:20 심영선 (서울대학교 화학과)
A Molecular
Perspective on Room-Temperature Ionic Liquid Electrolytes in Electric Double
Layer Capacitors
Lunch
12:20 – 13:30
Session
9: Surfaces and Interfaces II : 좌장 공기정 (한국화학연구소)
Talk 20. 13:30 – 14:00 이재찬 (성균관대학교 신소재 공학부)
Electronic
phase transition in low dimensional La doped SrTiO3 transition
metal oxide
Talk 21. 14:00 – 14:30 김건 (세종대학교 물리학과)
First-principles
study of doped carbon nanotubes on hexagonal boron nitride substrates under applied
electric fields
Talk 22. 14:30 – 15:00 정재훈 (일본 이화학연구소)
Controlling chemical
reactivity of ultrathin oxide film grown on metal substrate by interface
manipulation
Coffee
Break 15:00 – 15:20
Session
10: Energy Materials II : 좌장 이주열 (성균관 대학교)
Talk 23. 15:20 – 15:50 이승철 (한국과학기술연구원)
CO2
methanation reaction on MgO surfaces: Ab-initio thermodynamics and mechanistic
study
Talk 24. 15:50 – 16:20 이주형 (광주과학기술원 신소재 공학부)
First-principles study of the electronic and optical properties of Si
with nanometer-sized pores
Closing & 우수 포스터 시상식
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