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

E-2 : Creation and characterization of advanced materials through computer simulation
Entry No	Presentation	Date	Award	Presenter Name	Affiliation	Paper Title
Dec. 8 13:00 - 15:20 Place: 横浜情報文化センター Yokohama Media & Communications Center Core Time :Odd-Numbered/ 13:10-14:10 Even-Nunbered/ 14:10-15:10
2193	E2-P8-001	Dec. 8	*M	Tomokazu HIGUCHI	Osaka prefecture University	Prediction of specific electrical resistance in Al-X alloys from first-principles calculations
2750	E2-P8-002	Dec. 8	*M	Sota SATO	Nagoya Institute of Technology	Molecular Dynamics Analyses of Formation and Deformation Mechanisms of Zr-based Metallic Glasses
2196	E2-P8-003	Dec. 8	*M	Daichi MINAMI	Graduate School of Engineering, Osaka Prefecture University	First-principles calculations of transformation strain and phase stability in Ti-Nb-X and Ti-Mo-X alloys.
2677	E2-P8-004	Dec. 8	*M	Keisuke MOTOKI	Graduate School of Fundamental Science and Engineering, Waseda University/ISAS, JAXA	Evaluation of X-ray Irradiation Effects on the Electronic Structure of Organic-Inorganic Perovskite Solar Cells
2262	E2-P8-005	Dec. 8	*M	Ryosuke ISHIMURA	Department of Adaptive Machine Systems, Osaka University	Systematic Calculations of Thermal Expansion of Silicides
2686	E2-P8-006	Dec. 8	*G	Tadao FUKUTA	Department of System Engineering, Okayama Prefectural University	A Study on Grain Boundary of Al-Mg-Zn-Cu Series Alloy by First-Principles Calculation
2254	E2-P8-007	Dec. 8	*M	Yoshihisa KANAMORI	Department of Adaptive Machine Systems, Osaka University	Impurity Segregation on Symmetric Tilt Grain Boundaries in α-Al₂O₃
2615	E2-P8-008	Dec. 8	*M	Makoto HIRATA	Graduate School of Fundamental Science and Engineering, Waseda University	Electronic structure analysis of Sb, La and Nb-doped BaSnO₃
2408	E2-P8-009	Dec. 8		Nu PHAM	Graduate School of Engineering, Yokohama National University	Molecular dynamics simulation using time-dependent density functional theory
2429	E2-P8-010	Dec. 8	*M	Atsushi KOYANO	Graduate School of Engineering, Osaka Prefecture University	Influence of alloying transition elements on phase stability and elastic property of β Ti-X alloys from first-principles calculations
2471	E2-P8-011	Dec. 8	*D	Aulia Sukma HUTAMA	Department of Chemistry and Institute of Transformative Bio-Molecules , Nagoya University	Density-Functional Tight-Binding Parameters for Simulation of Zirconia
2536	E2-P8-012	Dec. 8	*M	Tomoya MURAI	Graduate School of Fundamental Science and Engineering, Waseda University	Local Environment Analysis of Mn Ions in CaTiO₃
2582	E2-P8-013	Dec. 8	*M	Ryuichi ARAKAWA	Nagoya Institute of Technology	Combination of DFT-calculations and data-science to study properties of grain boundaries
2605	E2-P8-014	Dec. 8	*M	Akihisa KAMATA	Graduate School of Fundamental Science and Engineering, Waseda University	Relationship between Valence State of Doped Rare-Earth Ions and Crystal Structure of BaBiO₃
2271	E2-P8-015	Dec. 8	*M	Daiki NAKAGAKI	Department of Adaptive Machine Systems, Osaka University	Thermodynamic Stability of Layered Oxide Thermoelectrics
2774	E2-P8-016	Dec. 8	*D	Kazuaki KUWAHATA	Graduate School of Engineering, Yokohama National University	2H + CO → H₂CO studied by ab initio calculation
2302	E2-P8-017	Dec. 8	*D	Bin LIU	Graduate School of Science and Engineering, Ibaraki University	Phase field simulation of precipitation process of Si in Mg₂Si
2787	E2-P8-018	Dec. 8	*M	Toru SHOJI	Department of Physics Graduate School of Engineering, Yokohama National University	A first-principles calculation of van der Waals interaction between rare-gas atoms
2503	E2-P8-019	Dec. 8	*M	Koichi MASUDA	Graduate School of Fundamental Science and Engineering, Waseda University	Electronic structure analysis of alkaline-earth-doped RECoO₃ (RE = La, Pr, Nd)
2264	E2-P8-020	Dec. 8	*M	Arata IOKI	Depaartment of Adaptive Machine Systems, Osaka University	ab initio calculations of thermodynamic phase stability of Ln₂Si₂O₇
2928	E2-P8-021	Dec. 8	*M	Kyohei ITO	Nagoya Institute of Technology	First-principles study of interfaces in all solid Li-ion battery
2539	E2-P8-022	Dec. 8	*M	Yutaka OSADA	Graduate School of Fundamental Science and Engineering, Waseda University	Crystal structure analysis of LaM_1-xFe_xO₃(M = Ga, Al, In)