E:Creation and characterization of advanced materials through computer simulation |
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Entry No | Presentation | Date | Award | Presenter Name | Affiliation | Paper Title | |||
Nov. 27 13:00 - 15:30 横浜情報文化センター 情文ホール/Yokohama Media & Communications Center, Hall |
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2614 | E-P27-001 | Nov. 27 | *M | Yang JI | Graduate school of Engineering, Osaka University | Electronic Structure affecting the Local Field Enhancement in Metal Oxide Photocatalysts | |||
2224 | E-P27-002 | Nov. 27 | *M | Riku SHIROTA | Yokohama national university | First principles calculation of hole doped La2CuO4 | |||
2274 | E-P27-003 | Nov. 27 | *M | Motonari SAWADA | Tottori University | Analysis of oxygen-cation distance in oxides using crystal structure database | |||
2615 | E-P27-004 | Nov. 27 | *M | Nao IMAIZUMI | Graduate School of Engineering, Osaka University | Influence of Solute Oxygen on Deformation Twinning in Pure Ti by First Principles Calculation | |||
2307 | E-P27-005 | Nov. 27 | *M | Nayu ARAKI | Department of Electrical Engineering, Tokyo University of Science | Effect of chemically modification on thermoelectric performance of carbon nanotubes with vacancy defects: DFT+NEGF simulation | |||
2617 | E-P27-006 | Nov. 27 | *B | Katsuya SHIRAI | School of Engineering, Osaka University | Effect of Vacancies on Nucleation in δ-γ Massive-like Transformation of Carbon Steel | |||
2337 | E-P27-007 | Nov. 27 | *M | Koichi KOSHINO | Graduate School of Engineering and Science, Yokohama National University | HCl sensing principle of porphyrin functionalized solid-state device | |||
2402 | E-P27-008 | Nov. 27 | *G | Daichi MINAMI | Graduate School of Humanities and Sustainable System Sciences, Osaka Prefecture University | Composition dependence on phase stability among α, α”, ω and β phases from first-principles calculations in Ti-based alloys | |||
2631 | E-P27-009 | Nov. 27 | *B | Wataru SEKIMOTO | School of Engineering, Osaka University | Reduction of Thermal Conductivity by Dislocation in MgO using perturbed molecular dynamics method | |||
2472 | E-P27-010 | Nov. 27 | Craig FISHER | Japan Fine Ceramics Center | Defect Equilibria in Proton Conducting Perovskites BaZrO3 and LaScO3 | ||||
2507 | E-P27-011 | Nov. 27 | *M | Takumi IIZAWA | Nagoya Institute of Technology | Segregation energy prediction of Fe grain boundaries using machine learning | |||
2633 | E-P27-012 | Nov. 27 | *B | Yuta HINO | School of Engineering, Osaka University | Modifications of Phonons by Alternate Stacking of Group XIV Monochalcogenides by ab initio Lattice Dynamics | |||
2534 | E-P27-013 | Nov. 27 | Kodai ICHIHASHI | Yokohama National University | The affection of axial strain to hole-state s in Mg-doped GaN | ||||
2714 | E-P27-014 | Nov. 27 | Tomoyuki YAMAMOTO | Waseda University | Electronic Structure Calculations of Mn-doped Oxide Phosphors | ||||
2635 | E-P27-015 | Nov. 27 | *M | Ryohei NISHIOKA | Osaka university | Dependence of Electronic Conductivity on Characteristics of Dislocation in Oxides by First Principles Calculations |