The 29th Annual Meeting of MRS-J Program List: Oral
E: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 |
Nov. 27  10:00 - 11:30 産業貿易センター/ INDUSTRY & TRADE CENTER B102 |
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Chair : 吉矢 真人 (大阪大学) Masato YOSHIYA (Osaka University) |
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| 2440 | Invited | E-I27-001 | Nov. 27 | 10:00 | 10:30 | *G | Hidetoshi MIYAZAKI | Nagoya Institute of Technology | Design and exploration of low thermal conductivity Heusler type thermoelectric conversion materials using computational science |
| 2060 | E-O27-002 | Nov. 27 | 10:30 | 10:45 | Soungmin BAE | Korea Advanced Science and Technology (KAIST) | Localized coherent phonon generation by exciton capture of O2-VSe defect complex in monolayer MoSe2 | ||
Chair : 宮崎 秀俊 (名古屋工業大学) Hidetoshi MIYAZAKI (Nagoya Institute of Technology) |
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| 2612 | E-O27-003 | Nov. 27 | 10:45 | 11:00 | *M | Naoki WATANABE | Graduate School of Engineering, Osaka University | Mechanisms to Reduce Thermal Conductivity by Si/SiO 2 Heterogeneous Interfaces at Nanoscale | |
| 2053 | E-O27-004 | Nov. 27 | 11:00 | 11:15 | *M | Tomoya GAKE | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Finite-Size Corrections for First-Principles Calculations of Defect-Involving Vertical Transitions | |
| 2703 | E-O27-005 | Nov. 27 | 11:15 | 11:30 | Tomoyuki YAMAMOTO | Waseda University | Phase Stability and Electronic Structure of Cs Lead-Halide Perovskites | ||
Nov. 27 16:00 - 17:30 産業貿易センター B102 |
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Chair : 大場 史康 (東京工業大学) Fumiyasu OBA (Tokyo Tech) |
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| 2547 | Invited | E-I27-006 | Nov. 27 | 16:00 | 16:30 | *G | Kei TERAYAMA | RIKEN Center for Advanced Intelligence Project | Development of efficient sampling methods based on machine learning techniques and their applications |
| 2210 | E-O27-007 | Nov. 27 | 16:30 | 16:45 | Ryo KOBAYASHI | Department of Physical Science and Engineering, Nagoya Institute of Technology | Molecular dynamics simulation of laser ablation using electron-temperature dependent force-field | ||
Chair : 田村 友幸 (名古屋工業大学) Tomoyuki TAMURA (Nagoya Institute of Technology) |
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| 2080 | E-O27-008 | Nov. 27 | 16:45 | 17:00 | Hideki MORI | College of Industrial Technology | Investigation of the screw dislocation core structure in BCC iron by using neural network potential | ||
| 2110 | E-O27-009 | Nov. 27 | 17:00 | 17:15 | *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 | |
| 2413 | E-O27-010 | Nov. 27 | 17:15 | 17:30 | Tokuteru UESUGI | Graduate School of Humanities and Sustainable System Sciences, Osaka Prefecture University | Search for intermetallic-typed metallic glasses based on machine learning assisted by first-principles calculations | ||
Nov. 28 9:30 - 11:30 産業貿易センター/ INDUSTRY & TRADE CENTER B102 |
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Chair : 榊原 寛史 (鳥取大学) Hirofumi SAKAKIBARA (Tottori University) |
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| 2549 | Invited | E-I28-001 | Nov. 28 | 09:30 | 10:00 | *G | Yu-ichiro MATSUSHITA | Tokyo Institute of Technology | Quasiparticle spectra calculated by coupled-cluster theory on classical and quantum computers |
| 2202 | E-O28-002 | Nov. 28 | 10:00 | 10:15 | *G | Shota ONO | Gifu University | Boltzmann equation and ab initio approaches to ultrafast infrared luminescence in metals | |
| Break | Nov. 28 | 10:15 | 10:30 | ||||||
Chair : Hannes RAEBIGER (横浜国立大学) Hannes RAEBIGER (Yokohama National University) |
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| 2056 | E-O28-003 | Nov. 28 | 10:30 | 10:45 | *M | Yuichiro KUROIWA | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Exploration of Three Dimensional Multi-Valley Materials Exhibiting Spin-Valley Hall Effects Using Computational Materials Database | |
| 2241 | E-O28-004 | Nov. 28 | 10:45 | 11:00 | *G | Hirofumi SAKAKIBARA | Faculty of Engineering, Tottori University | Study of vertex corrections for QSGW via slab models under electric fields | |
| 2556 | E-O28-005 | Nov. 28 | 11:00 | 11:15 | *D | Kou HARADA | IIR, Tokyo Tech, Yokohama, Japan | Spin-Orbit Coupling Effects on Band Parameters of Compoumd Semiconductors | |
| 2270 | E-O28-006 | Nov. 28 | 11:15 | 11:30 | Takao KOTANI | tottori university | An approach to construct effective Hamiltonian from first-principle calculaiton | ||
Nov. 28 13:00 - 17:00 産業貿易センター B102 |
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Chair : Craig A. J. FISHER (ファインセラミックスセンター) Craig A. J. FISHER (Japan Fine Ceramics Center) |
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| 2448 | Invited | E-I28-007 | Nov. 28 | 13:00 | 13:30 | *G | Randy JALEM | National Institute for Materials Science | DFT and informatics approaches for finding novel solid electrolytes for all-solid-state batteries |
| 2175 | E-O28-008 | Nov. 28 | 13:30 | 13:45 | Shingo TANAKA | National Institute of Advanced Industrial Science and Technology (AIST) | First-principles study of local structures and mechanical properties of LixFeyV1-yF3 | ||
| 2412 | E-O28-009 | Nov. 28 | 13:45 | 14:00 | *M | Yuya NISHINO | Nagoya Institute of Technology | First-principles study of XANES spectra for Li-Si-O based materials. | |
| Break | Nov. 28 | 14:00 | 14:15 | ||||||
Chair : 藤井 進 (ファインセラミックスセンター) Susumu FUJII (Japan Fine Ceramics Center) |
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| 2531 | Invited | E-I28-010 | Nov. 28 | 14:15 | 14:45 | Akira MASAGO | Osaka University | Computational Materials Design for Gate Switching of Magnetism in Crystal | |
| 2229 | E-O28-011 | Nov. 28 | 14:45 | 15:00 | *G | Ha-jun SUNG | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Effects of Surface Reconstruction on Band Alignment in Perovskite Oxides | |
| 2072 | E-O28-012 | Nov. 28 | 15:00 | 15:15 | *G | Yoyo HINUMA | Chiba University/National Institute of Materials Science | Density Functional Theory Calculations of Surface Oxygen Vacancy Formation in Metal Oxides | |
| 2289 | E-O28-013 | Nov. 28 | 15:15 | 15:30 | *D | Yasuhide MOCHIZUKI | Tokyo Institute of Technology | Stable Structure Search for Pnictide Antiperovskites | |
Chair : 上杉 徳照 (大阪府立大学) Tokuteru UESUGI (Osaka Prefecture University) |
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| 2435 | Invited | E-I28-014 | Nov. 28 | 16:00 | 16:30 | *G | Susumu FUJII | Japan Fine Ceramics Center/National Institute for Materials Science/Osaka University | Microscopic Thermal Conduction Mechanism in Grain Boundaries Examined by Perturbed Molecular Dynamics and Structural Descriptor |
| 2226 | E-O28-015 | Nov. 28 | 16:30 | 16:45 | 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 | ||
| 2628 | E-O28-016 | Nov. 28 | 16:45 | 17:00 | *M | Keita KUROTSU | Graduate School of Engineering, Osaka University | Revealing Mechanism of Heterogeneous γ-phase Growth in Carbon Steel upon δ-γ Massive-like transformation | |