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The 27th Annual Meeting of MRS-J Program List: Oral

L: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. 5
10:00 - 12:00
Chair :
塚田 祐貴 (名古屋大学)
Yuhki TSUKADA (Nagoya University)
2083   Invited   L-I5-001 Dec. 5 10:00 10:40 Shinichi HIGAI Murata Manufacturing Co., Ltd./Research Association of High-Throughput Design and Development for Advanced Functional Materials/AIMaP/CAMM Forum Activities and Expectations on Computational Simulations and Materials Informatics Techniques for Creation of Advanced Functional Materials
2354     L-O5-002 Dec. 5 10:40 11:00 Abhijit Chatterjee DASSAULT SYSTEMES BIOVIA Material informatics: the current state and the future vision form a software perspective
Chair :
檜貝 信一 (村田製作所)
Shinichi HIGAI (Murata Manufacturing Co., Ltd.)
2381   Invited   L-I5-003 Dec. 5 11:00 11:40 Masayuki KARASUYAMA Department of Computer Science, Nagoya Institute of Technology/Center for Materials Research by Information Integration, National Institute for Materials Science/JST PRESTO Statistical Machine Learning for Grain-boundary: Toward Data-driven Materials Discovery
2110     L-O5-004 Dec. 5 11:40 12:00 Tomoyuki TAMURA Nagoya Institute of Technology/National Institute for Materials Science Fast and scalable prediction of local energy at grain boundaries: Machine-learning based modeling of first-principles calculations
Dec. 5
15:40 - 18:30
Chair :
弓削 是貴 (京都大学)
Koretaka YUGE (Kyoto University)
2569     L-O5-005 Dec. 5 15:40 16:00 Ryo KOBAYASHI Nagoya Institute of Technology/National Institute for Materials Science A neural-network potential for Al-Mg-Si ternary alloys
2245     L-O5-006 Dec. 5 16:00 16:20 Hideki MORI College of Industrial Technology Investigation of compact dislocation core structure in Aluminum by deep neural network atomic potential.
Chair :
都留 智仁 (日本原子力研究開発機構)
Tomohito TSURU (Japan Atomic Energy Agency)
2392   Invited   L-I5-007 Dec. 5 16:20 17:00 *G Yuhki TSUKADA Graduate School of Engineering, Nagoya University/JST, PRESTO Simulation of martensitic transformation in steels by the phase-field method
2535     L-O5-008 Dec. 5 17:00 17:20 *M Hiroki FUJIWARA Department of Adaptive Machine Systems, Osaka University Computational Experiments of δ-γphase nucleation upon δ-γ Massive like Transformation in Carbon Steel by Phase Field Modeling: A Possible Explanation for Experimental Evidences
   Break Dec. 5 17:20 17:30
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)
2280     L-O5-009 Dec. 5 17:30 17:50 *M Yusuke SUMI Department of Adaptive Machine Systems, Osaka University Evaluation of Thermal Materials Properties and Their Influences upon Thermal Cycle of Environmental Barrier Coatings by First-Principles Calculations
2575     L-O5-010 Dec. 5 17:50 18:10 Yoshiki BANDO Tokai University, Faculty of Engineering, Material Science Department New Thermoelectric Materials Fe3Ga and Ga3Fe: DFT Calculations and Experiments
2281     L-O5-011 Dec. 5 18:10 18:30 *M Kazushi FUJIMOTO Department of Adaptive Machine Systems, Osaka University Thermodynamic Stability and Thermoelectric Properties of Impurities Doped TiS2 by ab initio Calculations
Dec. 6
9:30 - 17:30
Chair :
小林 亮 (名古屋工業大学)
Ryo KOBAYASHI (Nagoya Institute of Technology)
2577   Invited   L-I6-001 Dec. 6 09:30 10:10 *G Takenobu NAKAMURA National Institute of Advanced Industrial Science and Technology Topological Data Analysis for the Molecular Dynamics Simulation
2444     L-O6-002 Dec. 6 10:10 10:30 Craig FISHER Nanostructures Reseah Laboratory, Japan Fine Ceramics Center Systematic analysis of cation distributions in aluminosilicate frameworks using graph theory and molecular dynamics
2538     L-O6-003 Dec. 6 10:30 10:50 *M Kohei FUNAI Department of Adaptive Machine Systems, Osaka University Suppression of Lattice Thermal Conductivity by Si Symmetric Tilt Grain Boundaries by Perturbed Molecular Dynamics
Chair :
小谷 岳生 (鳥取大学)
Takao KOTANI (Tottori University)
2094     L-O6-004 Dec. 6 10:50 11:10 *G Koretaka YUGE Kyoto University Microscopic Geometry Rules Structure/Potential-Energy Correspondence in a Thermodynamic System
2506     L-O6-005 Dec. 6 11:10 11:30 Atsushi TOGO Elements Strategy Initiative for Structural Materials, Kyoto University High-throughput first-principles phonon calculations
2113     L-O6-006 Dec. 6 11:30 11:50 *G Yoyo HINUMA Center for Frontier Science, Chiba University/National Institute for Materials Science/Kyoto University Energetics and structure of binary oxides with various exchange-correlation functionals
Chair :
森 英喜 (産業技術短期大学)
Hideki MORI (College of Industrial Technology)
2343   Invited   L-I6-007 Dec. 6 13:00 13:40 *G Masato WAKEDA National Institute for Materials Science Prediction of mechanical properties of structural materials based on the first principles calculation of lattice defects
2219     L-O6-008 Dec. 6 13:40 14:00 *G T TSURU Japan Atomic Energy Agency First-principles and experimental study on interfacial fracture in Mg alloys
2559     L-O6-009 Dec. 6 14:00 14:20 Tokuteru UESUGI Graduate School of Engineering, Osaka Prefecture University Substitutional Behavior of Ternary Elements in Ni3Al and Ni3V from First-Principles Calculations
Chair :
東後 篤史 (京都大学)
Atsushi TOGO (Kyoto University)
2330   Invited   L-I6-010 Dec. 6 14:40 15:20 *G Hirofumi Akamatsu Graduate School of Engineering, Kyushu University Theoretical and Experimental Study of Inversion Symmetry Breaking by Oxygen Octahedral Rotations in Layered Perovskites
2579     L-O6-011 Dec. 6 15:20 15:40 *G Ashim SAHA Department of Adaptive Machine Systems, Osaka University First Principles Calculations of Rotation Dependent Modifications of the Electronic and Optical Properties of MoS2-MoSe2 Layered Heterostructure
2407     L-O6-012 Dec. 6 15:40 16:00 *M Yasuhide MOCHIZUKI Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology Metal-Insulator Transition Induced by Biaxial Compressive Strain in La3Ni2O7: A First-Principles Study
   Break Dec. 6 16:00 16:10
Chair :
上杉 徳照 (大阪府立大学)
Tokuteru UESUGI (Osaka Prefecture University)
2088     L-O6-013 Dec. 6 16:10 16:30 *M Kou HARADA Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology First-Principles Study of Carrier-Induced Band-Gap Variation and Point Defects in Zn3N2
2127     L-O6-014 Dec. 6 16:30 16:50 *M Yuuki MOTOYAMA Nagoya Institute of Technology Li migration near solid-electrolyte LLTO grain boundaries
2299     L-O6-015 Dec. 6 16:50 17:10 *M Nobuhiko NISHIYA Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology Defect Formation and Doping Limits in Semiconductors: A First-Principles Study
2570     L-O6-016 Dec. 6 17:10 17:30 *G Kazuki SHITARA Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science/Nanostructures Research Laboratory, Japan Fine Ceramics Center/Department of Materials Science and Engineering, Kyoto University Material Design of Oxide-Ion Conductor Er-Stabilized Bi2O3 by Selective Doping for Improved Long-Term Stability at Moderate Temperatures