The 28th Annual Meeting of MRS-J Program List: Oral
D-2:Creation and characterization of advanced materials through computer simulation |
|||||||||
|---|---|---|---|---|---|---|---|---|---|
| Entry No | Keynote/ Invited |
Presentation | Date | Time to start |
Time to finish |
Award | Presenter Name | Affiliation | Paper Title |
Dec. 19  9:30 - 12:30 西日本総合展示場 AIM 3F 314会議室 （R会場） West Japan General Exhibition Center AIM 3F Room 314 |
|||||||||
Chair : 大場 史康 (東京工業大学) Fumiyasu OBA (Tokyo Institute of Technology) |
|||||||||
| 2348 | Invited | D2-I19-001 | Dec. 19 | 09:30 | 10:00 | *G | Ryo TAMURA | International Center for Materials Nanoarchitectonics, National Institute for Materials Science/Graduate School of Frontier Sciences, The University of Tokyo/Center for Advanced Intelligence Project, RIKEN | Materials science researches by informatics techniques - atomic force-field estimation and odor component analysis - |
| 2213 | D2-O19-002 | Dec. 19 | 10:00 | 10:15 | *M | Hiroki KASUGAI | Nagoya Institute of Technology | Efficient stable structure search of solid electrolyte LLTO using machine learning | |
Chair : 田村 亮 (NIMS/東京大学/理化学研究所) Ryo TAMURA (NIMS/The University of Tokyo/RIKEN) |
|||||||||
| 3138 | D2-O19-003 | Dec. 19 | 10:15 | 10:30 | *D | Daichi MINAMI | Graduate School of Engineering, Osaka Prefecture University | First-principles calculations assisted machine learning for predicting transformation temperatures of martensitic transformation in shape memory alloys | |
| 2240 | D2-O19-004 | Dec. 19 | 10:30 | 10:45 | *M | Jun MIYAMOTO | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Machine Learning Model for Predicting Dielectric Constants of Oxides | |
| 2868 | D2-O19-005 | Dec. 19 | 10:45 | 11:00 | Tomoyuki TAMURA | Nagoya Institute of Technology/National Institute for Materials Science | Prediction of local energies in large-scale grain-boundary system: Machine-learning based modeling of first-principles calculations | ||
| 休憩 | Dec. 19 | 11:00 | 11:15 | ||||||
Chair : 田村 友幸 (名古屋工業大学) Tomoyuki TAMURA (Nagoya Institute of Technology) |
|||||||||
| 2463 | Invited | D2-I19-006 | Dec. 19 | 11:15 | 11:45 | *G | Tatsuya YOKOI | Department of Materials Physics, Nagoya University | First-principles calculations of grain boundary structures and their properties |
| 2633 | D2-O19-007 | Dec. 19 | 11:45 | 12:00 | *D | Yuichi MOTOHASHI | RICOH CO., LTD./Facility of Engineering, Tokyo University of Science | Ab initio study of lead vacancy on grain boundary of PbTiO3 | |
| 2330 | D2-O19-008 | Dec. 19 | 12:00 | 12:15 | *G | Ashim Kumar SAHA | Graduate School of Engineering, Osaka University | Study of Grain Boundary and Defect Formation Energy in Yb2Si2O7 and Yb2SiO5 Materials by First Principles Calculations | |
| 2667 | D2-O19-009 | Dec. 19 | 12:15 | 12:30 | *D | Abdullah Al ASAD | Dept. of Electrical and Electronic Engineering, Okayama University | Characterization of Σ5 Grain Boundary of Methyl-Ammonium Lead Triiodide Perovskite using Density Function Theory | |
Dec. 19 14:30 - 18:00 西日本総合展示場 AIM 3F 314会議室 （R会場） West Japan General Exhibition Center AIM 3F Room 314 |
|||||||||
Chair : 横井 達矢 (名古屋大学) Tatsuya YOKOI (Nagoya University) |
|||||||||
| 2453 | D2-O19-010 | Dec. 19 | 14:30 | 14:45 | Masanori KOHYAMA | National Institute of Advanced Industrial Science and Technology | Grain-Boundary Segregation of 3d-Transition Metal Solutes in bcc Fe: Ab Initio Local-Energy Approach | ||
| 2851 | D2-O19-011 | Dec. 19 | 14:45 | 15:00 | *M | Takumi HAYASHI | Graduate School of Engineering , Nagoya Institute of Technology | First-principles investigation of migration of clustering He near bcc-W grain boundaries | |
| 2938 | D2-O19-012 | Dec. 19 | 15:00 | 15:15 | Hideki MORI | College of Industrial Technology | Microscopic Phase-field study on dislocation core structure in aluminum | ||
Chair : 上杉 徳照 (大阪府立大学) Tokuteru UESUGI (Osaka Prefecture University) |
|||||||||
| 3011 | D2-O19-013 | Dec. 19 | 15:15 | 15:30 | *M | Takahiro TSUZUKI | Graduate of Engineering, Nagoya Institute of Technology | Large-Scale DFT Simulation of Quinones@SWCNT for Novel Cathode of Li-ion Battery | |
| 2122 | D2-O19-014 | Dec. 19 | 15:30 | 15:45 | *M | Tomoya GAKE | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | First-Principles Study of Hole Polarons in Ga2O3 Polymorphs | |
| 3056 | D2-O19-015 | Dec. 19 | 15:45 | 16:00 | *G | Ayako TAGUCHI | Nanostructures Research Laboratory, Japan Fine Ceramics Center/MaDIS, National Institute for Materials Science | First-principles analysis of point defects in proton conductor LaScO3 | |
| 休憩 | Dec. 19 | 16:00 | 16:15 | ||||||
Chair : 東後 篤史 (京都大学) Atsushi Togo (Kyoto University) |
|||||||||
| 2110 | Invited | D2-I19-016 | Dec. 19 | 16:15 | 16:45 | *G | Shota ONO | Department of Electrical, Electronic and Computer Engineering, Gifu University | Ultrafast dynamics of nonequilibrium electrons and phonons in solids |
| 2912 | D2-O19-017 | Dec. 19 | 16:45 | 17:00 | *G | Susumu FUJII | Graduate School of Engineering, Osaka University | Modal Analysis of Phonon Thermal Transport by Combination of Molecular and Lattice Dynamics | |
| 2518 | D2-O19-018 | Dec. 19 | 17:00 | 17:15 | *D | Yasuhide MOCHIZUKI | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Strain-Induced Polar Metal Phases in Antiperovskites from First Principles | |
Chair : 小野 頌太 (岐阜大学) Shota ONO (Gifu University) |
|||||||||
| 2727 | D2-O19-019 | Dec. 19 | 17:15 | 17:30 | *M | Shotaro YAMAMOTO | Graduate School of Engineering, Osaka University | Controlling Thermal Expansion of Materials for Environmental Barrier Coatings | |
| 2870 | D2-O19-020 | Dec. 19 | 17:30 | 17:45 | *M | Shouno OHTA | Graduate School of Materials Science and Engineering, University of Kyoto | Geometry in Configuration Space and Macroscopic Property in Thermodynamic Equilibrium State | |
| 2203 | D2-O19-021 | Dec. 19 | 17:45 | 18:00 | Yoshiyuki Kawazoe | New Industry Creation Hatchery Center, Tohoku University | Penta-graphene : Recent Progress - | ||
Dec. 20 8:30 - 10:15 北九州国際会議場 21会議室A,B （E会場） Kitakyushu International Conference Center Room 21A,B |
|||||||||
Chair : Craig A. J. FISHER (ファインセラミックスセンター) Craig A. J. FISHER (JFCC) |
|||||||||
| 2785 | Invited | D2-I20-001 | Dec. 20 | 08:30 | 09:00 | Atsushi Togo | Elements Strategy Initiative for Structural Materials, Kyoto University | Software development of workflow engine to automate mixed computer simulations | |
| 2158 | D2-O20-002 | Dec. 20 | 09:00 | 09:15 | *G | Yoyo HINUMA | Center for Frontier Science, Chiba University/Center for Materials Research by Information Integration, Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science | Density Functional Theory Calculations of Oxygen-Vacancy Formation and Subsequent Molecule Adsorptions on Oxide Surfaces | |
| 2546 | D2-O20-003 | Dec. 20 | 09:15 | 09:30 | *G | Tomoyasu YOKOYAMA | Technology Innovation Division, Panasonic Corporation | The phase diagram prediction of organic-inorganic hybrid materials | |
Chair : Hannes RAEBIGER (横浜国立大学) Hannes RAEBIGER (Yokohama National University) |
|||||||||
| 2015 | Invited | D2-I20-004 | Dec. 20 | 09:30 | 10:00 | *G | Daisuke YOSHIDA | Institute of Atomic and Molecular Sciences, Academia Sinica | Chemistry of small carbon cluster anions and carbon hydride anions |
| 3010 | D2-O20-005 | Dec. 20 | 10:00 | 10:15 | *G | Yu-ichiro MATSUSHITA | Tokyo Institute of Technology | Quasi-particle spectrum calculations based on wave-function theory: One-particle Green’s function from coupled-cluster singles and doubles (GFCCSD) | |
Dec. 20 14:30 - 16:30 北九州国際会議場 21会議室A,B （E会場） Kitakyushu International Conference Center Room 21A,B |
|||||||||
Chair : 小谷 岳生 (鳥取大学) Takao KOTANI (Tottori University) |
|||||||||
| 2419 | Invited | D2-I20-006 | Dec. 20 | 14:30 | 15:00 | Yoshihiro GOHDA | Dept. Mater. Sci. Eng., Tokyo Tech | First-principles electron theory of magnetic materials | |
| 2948 | D2-O20-007 | Dec. 20 | 15:00 | 15:15 | *M | Kodai ICHIHASHI | Science and Engineering, Yokohama National University | Calculation of ferromagnetic semiconductors Cr doped β-Ga2O3 | |
| 2862 | D2-O20-008 | Dec. 20 | 15:15 | 15:30 | *D | Tomonori TANAKA | Tokyo Institute of Technology | First-principles calculations of a new 1D Rashba system: Bi-adsorbed In atomic chains | |
| 休憩 | Dec. 20 | 15:30 | 15:45 | ||||||
Chair : 合田 義弘 (東京工業大学) Yoshihiro GOHDA (Tokyo Institute of Technology) |
|||||||||
| 3017 | D2-O20-009 | Dec. 20 | 15:45 | 16:00 | *M | Riku SHIROTA | Graduate School of Engineering Science, Yokohama National University | Lack of Cr Site Preference in Mn2-xCrxSb Dependig on Atomic disorder | |
| 2388 | D2-O20-010 | Dec. 20 | 16:00 | 16:15 | *G | Masahiro Mori | National Institution of Advanced Industrial Science and Technology | 第一原理計算によるLixFeF3の局所構造と置換の影響 | |
| 3224 | D2-O20-011 | Dec. 20 | 16:15 | 16:30 | *G | Kazuki SHITARA | Joining and Welding Research Institute, Osaka University/Nanostructures Research Laboratory, Japan Fine Ceramics Center/Research and Service Division of Materials Data and Integrated System, National Institute for Materials Science | First-principles Study of Defects Structures in BaTiO3-xN2x/3 | |