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The 25th Annual Meeting of MRS-J Program List: Oral

E-2 : Creation and characterization of advanced materials through computer simulation

Entry No Keynote/
Presentation Date Time to
Time to
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
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)
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)
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)
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)
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)
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
Chair :
弓削 是貴 (京都大学)
Koretaka YUGE (Kyoto University)
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)
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)
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)
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)
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)
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