The 25th Annual Meeting of MRS-J Program List: Oral
E-2 : Creation and characterization of advanced materials through computer simulation |
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| Entry No | Keynote/ Invited |
Presentation | Date | Time to start |
Time to finish |
Award | Presenter Name | Affiliation | Paper Title |
Dec. 8  9:30 - 18:30 横浜情報文化センター/ Room A Yokohama Media & Communications/ Room A |
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| 2048 | Invited | E2-I8-001 | Dec. 8 | 09:30 | 10:10 | Tsunehiro TAKEUCHI | Toyota Technological Institute | Guiding principles for developing high-performance thermoelectric materials by means of detailed analyses on electronic structure | |
Chair : 田村 友幸 (名古屋工業大学） Tomoyuki TAMURA (Nagoya Institute of Technology) |
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| 2121 | E2-O8-002 | Dec. 8 | 10:10 | 10:30 | *M | Daisuke KANAYAMA | Department of Adaptive Machine Systems, Osaka University | Impacts of Impurities Doped in Magnéli Phases TinO2n-1 on Thermoelectric Properties by ab initio Calculations | |
| Coffee Break | Dec. 8 | 10:30 | 10:40 | ||||||
Chair : フィッシャー クレイグ （ファインセラミックスセンター） Craig Fisher (Japan Fine Ceramics Center) |
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| 2498 | Invited | E2-I8-003 | Dec. 8 | 10:40 | 11:20 | Satoru KONABE | Research Institute for Science & Technology, Tokyo University of Science | First principles thermoelectric simulation of 2D atomic layered materials | |
| 2260 | E2-O8-004 | Dec. 8 | 11:20 | 11:40 | *M | Yusuke AKADA | Department of Adaptive Machine Systems, Osaka University | Analysis of Critical Factors in Thermal Expansion coefficient of complex oxide | |
Chair : 大場 史康 （東京工業大学） Fumiyasu OBA (Tokyo Institute of Technology) |
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| 2697 | Invited | E2-I8-005 | Dec. 8 | 15:20 | 16:00 | *G | Motoki SHIGA | Faculty of Engineering, Gifu University | Statistical Machine Learning for Materials Science |
| 2305 | E2-O8-006 | Dec. 8 | 16:00 | 16:20 | *G | Hirofumi SAKAKIBARA | Tottori university | First-principles-derivation of effective model for material design in strongly correlated system | |
Chair : 藤平 哲也 （東京大学） Tetsuya TOHEI (The University of Tokyo) |
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| 2617 | E2-O8-007 | Dec. 8 | 16:20 | 16:40 | *G | Swastibrata BHATTACHARYYA | Department of Physics, Yokohama National University | Derivation of phase field crystal model from the first-principles | |
| 2032 | E2-O8-008 | Dec. 8 | 16:40 | 17:00 | *G | Yoyo HINUMA | Department of Materials Science and Engineering, Kyoto University | Automatic Band Diagram Path Determination for Crystal Structure Databases | |
| 2673 | E2-O8-009 | Dec. 8 | 17:00 | 17:20 | *D | Akira TAKAHASHI | Graduate School of Engineering, Kyoto University | Many-body interaction of linear ridge potential energy surface | |
| Coffee Break | Dec. 8 | 17:20 | 17:30 | ||||||
Chair : 小鍋 哲 （東京理科大学） Satoru KONABE (Tokyo University of Science) |
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| 2089 | E2-O8-010 | Dec. 8 | 17:30 | 17:50 | Craig FISHER | Nanostructures Research Laboratory, Japan Fine Ceramics Center | First-Principles Calculations of Layered Oxide Polytypes | ||
| 2311 | E2-O8-011 | Dec. 8 | 17:50 | 18:10 | Takao KOTANI | tottori university | Applicaitons of PMT-QSGW method, and next steps | ||
| 2050 | E2-O8-012 | Dec. 8 | 18:10 | 18:30 | *G | Koretaka YUGE | Department of Materials Science and Engineering, Kyoto University | Universality in configurational evolution from complete disorder | |
Dec. 9 9:30 - 17:40 横浜市開港記念会館/ Room E Yokohama Port Opening Plaza/ Room E |
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Chair : 弓削 是貴 （京都大学） Koretaka YUGE (Kyoto University) |
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| 2312 | Invited | E2-I9-001 | Dec. 9 | 09:30 | 10:10 | Masatake YAMAGUCHI | Center for Computational Science and e-Systems, Japan Atomic Energy Agency | Intergranular cracking of steel induced by mobile hydrogen decohesion: first-principles calculations | |
| 2901 | E2-O9-002 | Dec. 9 | 10:10 | 10:30 | *D | Noriko OTANI | Nanostructures Research Laboratory, Japan Fine Ceramics Center | First-principles calculations of the hydrogen storage characteristics of Ti-V alloys | |
| Coffee Break | Dec. 9 | 10:30 | 10:40 | ||||||
Chair : 山口 正剛 （日本原子力研究開発機構） Masatake YAMAGUCHI (JAEA) |
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| 2163 | E2-O9-003 | Dec. 9 | 10:40 | 11:00 | *D | Ryohei TANAKA | Department of Materials Science and Engineering, Kyoto university | First-principles study on thermodynamic stability for Mg-based alloys revisited by short-range order | |
| 2284 | E2-O9-004 | Dec. 9 | 11:00 | 11:20 | *D | Kazuhito TAKEUCHI | Kyoto University, Department of Material Science and Engineering | Fast convergence of the density of states in alloys | |
| 2292 | E2-O9-005 | Dec. 9 | 11:20 | 11:40 | *G | Shota ONO | Department of Physics, Graduate School of Engineering, Yokohama National University | Electron-hole pair kinetics and exciton formation in homogeneous electron gas | |
Chair : 小谷 岳生 （鳥取大学） Takeo KOTANI (Tottori University) |
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| 2364 | Invited | E2-I9-006 | Dec. 9 | 13:20 | 14:00 | Hideki MINARI | Sony Corporation | Applications of atomistic simulations to development of advanced semiconductor devices | |
| 2008 | E2-O9-008 | Dec. 9 | 14:00 | 14:20 | *G | Joel HENZIE | National Institute for Materials Science (NIMS) | How Small Changes in Shape Strongly Affect the Light Confining Properties of Silver Nanocubes and Give Rise to Exotic Optical Properties | |
| Coffee Break | Dec. 9 | 14:20 | 14:30 | ||||||
Chair : 竹内 恒博 （豊田工業大学） Tsunehiro TAKEUCHI (Toyota Techonological Institute) |
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| 2793 | Invited | E2-I9-009 | Dec. 9 | 14:30 | 15:10 | Akihide KUWABARA | Nanostructures Research Laboratory, Japan Fine Ceramics Center | First-Principles Calculations of Li-Ion Diffusion Phenomena at Interfaces of Li-Excess Transition Metal Oxide Cathode Materials | |
| 2015 | E2-O9-010 | Dec. 9 | 15:10 | 15:30 | *G | Yu KUMAGAI | Materials Research Center for Element Strategy, Tokyo Institute of Technology | Accurate Predictions of Point Defect Energetics in Semiconductors from First Principles | |
| 2494 | E2-O9-011 | Dec. 9 | 15:30 | 15:50 | *M | Yoko NISHIYAMA | Graduate School of Fundamental Science and Engineering, Waseda University | Influence of F codoping on the electrical conductivity and transparency of Ga doped ZnO | |
| Coffee Break | Dec. 9 | 15:50 | 16:00 | ||||||
Chair : 榊原 寛史 （鳥取大学） Hirofumi SAKAKIBARA (Tottori University) |
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| 2261 | E2-O9-012 | Dec. 9 | 16:00 | 16:20 | *D | Yosuke SUZUKI-YAMAMOTO | Department of Adaptive Machine Systems, Osaka University | Crystal Structure Difference among Impurities for Refinement of Eutectic Si in Al-Si Alloys | |
| 2903 | E2-O9-013 | Dec. 9 | 16:20 | 16:40 | *G | Ayako KONISHI | Nanostructures Researcj Laboratory, Japan Fine Ceramics Center | First-Principles Analysis of Ferroelectricity in Wurtzite Structured ZnO Using the Fixed-D Method | |
Chair : 桑原 彰秀 (ファインセラミックスセンター） Akihide KUWABARA (Japan Fine Ceramics Center) |
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| 2798 | E2-O9-014 | Dec. 9 | 16:40 | 17:00 | *G | Hannes RAEBIGER | Centro de Ciências Naturais e Humanas, Universidade Federal do ABC/Department of Physics, Yokohama National University | Electronic model for resistive switching in nanodevices | |
| 2685 | E2-O9-015 | Dec. 9 | 17:00 | 17:20 | *G | Tetsuya TOHEI | The University of Tokyo | First principles calculation of oxygen grain boundary diffusion in α-Al2O3 | |
| 2453 | E2-O9-016 | Dec. 9 | 17:20 | 17:40 | Tomoyuki TAMURA | Nagoya Institute of Technology | First-principles in-situ XAS simulation of chemical reaction at cathode-electrolyte interface in Li-ion batteries | ||