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| ※ 제13회 고등과학원 전자구조계산학회 초록 Download | |||
| 6월 15일 (목) | 6월 16일 (금) | ||
| 8:30 – 9:20 등록 | 8:30 – 9:30 등록 | ||
| 9:20 – 9:30 환영인사 | |||
| 09:30 - 10:10 | 9:30 - 10:10 | ||
| 장기주 (KAIST) | 이재동 (대구경북과학기술원) | ||
| Session I: Materials Discovery |
New carbon and boron allotropes discovered by ab initio materials design | Session V: Electronic and optical propertie |
Energetics and transitions in a nanostructure with few-layer or several-layer semiconductor |
| 좌장: 이재광 | 10:10 - 10:50 | 좌장: 최운이 | 10:10 - 10:50 |
| (부산대학교) | 김덕영 (HPSTAR) | (삼성종합기술원) | 민홍기 (서울대학교) |
| New oxidation states of iron oxides at high pressure and its implication to the state of the deep lower mantle |
Optical and transport properties of 3D Dirac materials | ||
| 10:50 – 11:20 휴식 | 10:50 – 11:20 휴식 | ||
| 11:20 - 12:00 | 11:20 - 12:00 | ||
| 김한슬 (KAIST) | 허준석 (성균관대학교) | ||
| Session II: Development of New Methods 1 |
Extending constrained density functional theory for non-equilibrium quantum transport calculations | Session VI: Electron-phonon interactions |
Quantum simulation of molecular vibronic transitions |
| 좌장: 최형준 | 12:00 - 12:40 | 좌장: 이준희 | 12:00 - 12:40 |
| (연세대학교) | 김형준 (KAIST) | (UNIST) | 김충현 (기초과학연구원) |
| Inclusion of Environment Effect to Electronic Structure Calculations using Grid-based Mean-field Coupling of MD and DFT |
Polar octahedral rotation and multiferroicity in the bilayer iridates | ||
| 12:40 – 14:00 점심식사 | 12:40 – 14:00 점심식사 | ||
| 14:00 - 14:40 | 14:00 - 14:40 | ||
| 고아라 (기초과학연구원) | 심지훈 (POSTECH) | ||
| Session III : Development of New Method 2 |
Truncated Hilbert Space in the Impurity Solver for the Dynamical Mean-Field Theory | Session VII: Strongly correlated materials |
Evolution of the Kondo lattice electronic structure above the transport coherence temperature |
| 좌장: 김우연 | 14:40 - 15:20 | 좌장: 이관우 | 14:40 - 15:20 |
| (KAIST) | 민승규 (울산과학기술원) | (고려대학교) | 문창연 (표준과학연구원) |
| Coupled electron-nuclear dynamics based on exact factorization: from molecules to solids | Origin of doping-driven suppression and reemergence of magnetism in LaFeAsO1-xHx : A DFT+DMFT study | ||
| 15:20 – 15:40 휴식 | 15:20 - 15:40 | ||
| 15:40 - 16:20 | 폐회 및 우수 포스터 시상식 | ||
| 양범정 (서울대학교) | |||
| Session IV: Topological materials |
Unconventional topological phase transition in two-dimensional noncentrosymmetric systems |
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| 좌장: 진호섭 | 16:20 - 17:00 | ||
| (UNIST) | 김영국 (성균관대학교) | ||
| Z4xZ2 topological Dirac insulators | |||
| 17:00 - 20:00 | |||
| 포스터 세션 + 뱅큇 (홀리데이인 서울 성북 호텔) | |||