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Symposium : D-12 : Advances in Computational Materials Science and Technology
Entry No Keynote/
Presentation Date Time to
Time to
Award Presenter Name Affiliation Paper Title
Aug. 2513:30 - 17:30Room A813, A-Building
3796   Keynote   D12-K25-001 Aug. 25 13:30 14:20 Joerg NEUGEBAUER Max-Planck-Institut fuer Eisenforschung, Duesseldorf Materials design and discovery on the computer: Prospects and challenges
2775     D12-O25-002 Aug. 25 14:20 14:40 Nobuko OHBA Toyota Central R&D Labs., Inc. A hybrid quantum-classical simulation study on the interaction effects of among Li-ions for their diffusion in graphite
3612     D12-O25-003 Aug. 25 14:40 15:00 *D Ping-chun TSAI Department of Materials Science and Engineering, National Cheng Kung University Optimized Li4Me5O12 defect spinel electrode materials for lithium ion batteries using ab initio calculations
2368   Invited   D12-I25-004 Aug. 25 15:20 15:50 Masanori KOHYAMA Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology Ab Initio Local Energy and Local Stress Applied to Materials Interfaces
2568     D12-O25-005 Aug. 25 15:50 16:10 Hideaki SAWADA Advanced Technology Research Laboratories, Nippon Steel & Sumitomo Metal Corporation First-principles study of interface between iron and precipitate
2746     D12-O25-006 Aug. 25 16:10 16:30 Vikas SHARMA UBIQEN, AIST kansai region, Ikeda, Osaka Iron/precipitate interfaces: First principles investigation through local energy and local stress distribution
3555   Invited   D12-I25-007 Aug. 25 16:40 17:10 Hieu Chi DAM Japan Advanced Institute of Science and Technology Designing Single Molecule Magnet with Data Mining
2665     D12-O25-008 Aug. 25 17:10 17:30 *G Yosuke HARASHIMA Nanosystem Research Institute, RICS, AIST,ESICMM, National Institute for Materials Science First Principles Study on Effects of Substitutionally and Interstitially Doped Elements in NdFe11MA
Aug. 269:00 - 10:20Room A813, A-Building
3596   Invited   D12-I26-001 Aug. 26 09:10 09:40 Takehide MIYAZAKI Nanosystem Research Institute, AIST Effect of interface material on electric transport of metal/insulator/metal systems
3269     D12-O26-002 Aug. 26 09:40 10:00 Lin ZHANG Institution of Physical and Chemical Materials, College of Sciences, Northeastern University, China DFTB calculations of structures and electronic properties of small-sized SixGey clusters
2162     D12-O26-003 Aug. 26 10:00 10:20 *G Kengo NISHIO Nanosystem Research Institute (NRI), National Institute of Advanced Industrial Science & Technology (AIST) Universal Medium-Range Order of Amorphous Metal Oxides
Aug. 2613:30 - 15:00Room A813, A-Building
3655   Keynote   D12-K26-004 Aug. 26 13:30 14:20 Chris WOLVERTON Northwestern University Accelerating Materials Discovery with Data-Driven Atomistic Computational Tools
3027     D12-O26-005 Aug. 26 14:20 14:40 Tatsunao ASANO Graduate School of Natural Science & Technology, Okayama University Dopant Segregation into Screw Dislocation in Alumina: A Hybrid Quantum/Classical Molecular Dynamics Analysis
3028     D12-O26-006 Aug. 26 14:40 15:00 Ryo HIKATA Graduate School of Natural Science & Technology, Okayama University Acoustic Wave on Piezoelectric Semiconductor Film via Molecular Dynamics Simulation
Aug. 279:10 - 12:00Room A813, A-Building
2958   Invited   D12-I27-001 Aug. 27 09:10 09:40 Hajime KIMIZUKA Department of Mechanical Science and Bioengineering, Osaka University Monte Carlo Modeling of Short- and Medium-Range Order in Mg-based Long-Period Stacking Ordered Structures: From Full Atomistic to Coarse Grained Models
2519     D12-O27-002 Aug. 27 09:40 10:00 Ryuichiro OGUMA Faculty of Science, Fukuoka University Kinetics of Ordered Domain Formation in Binary Alloys of D019 Type Order
3416     D12-O27-003 Aug. 27 10:00 10:20 *M Shuhei SHINZATO Osaka University Study of Energy Barrier for Screw Dislocation Motion in Fe-Si Alloys Using Line Tension Model
2946   Invited   D12-I27-004 Aug. 27 10:30 11:00 Atsushi TOGO Center for Elements Strategy Initiative for Structural Materials, Kyoto university Semi-automatic first-principles lattice thermal conductivity calculations
2434     D12-O27-005 Aug. 27 11:00 11:20 *D Kouichi TANAKA DENSO CORPORATION,Graduate School of Engineering, Nagoya Institute of Technology Non-equilibrium molecular dynamics and wave-packet dynamics studies of enhanced heat transfer through filler-polymer interface by surface-coupling agent
2219     D12-O27-006 Aug. 27 11:20 11:40 *G Ryo KOBAYASHI Department of Scientific and Engineering Simulation, Nagoya Institute of Technology An MD study of self-induced bubble growth under He irradiation in tungsten
3002     D12-O27-007 Aug. 27 11:40 12:00 *D Yasuhiro KAJIMA Department of Scientific and Engineering Simulation, Nagoya Institute of Technology Molecular dynamics simulations of quasi-liquid layer of sub-micrometer scale ice with or without dislocation
Aug. 2713:30 - 16:30Room A813,A-Building
2787   Invited   D12-I27-008 Aug. 27 13:30 14:00 Masato WAKEDA Osaka University Atomistic Prediction of Solute Hardening and Softening in Fe-Si Alloys
3336     D12-O27-009 Aug. 27 14:00 14:20 *G Tokuteru UESUGI Department of Materials Science, Graduate School of Engineering, Osaka Prefecture University Phase stability of beta phase in Ti-X (X = Mo, Nb, V and W) alloys from first-principles calculations
2860     D12-O27-010 Aug. 27 14:20 14:40 Kazuki MATSUBARA Department of Mechanical Science and Bioengineering, Osaka University Energetic analysis of long-range periodic order in Mg-Y alloy based on first-principles calculations
3456   Invited   D12-I27-011 Aug. 27 15:00 15:30 Fumiyuki ISHII Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University Spin–Orbit Effects in Ferroelectric Oxides: Towards Oxide Spintronics
2252     D12-O27-012 Aug. 27 15:30 15:50 Shuji OBATA Tokyo Denki University Simulations of Domain Transition Processes in Nano-Structured Magnetic Materials under External Field Changes
3592     D12-O27-013 Aug. 27 15:50 16:10 *G Hiromasa OHNISHI Tsuruoka National College of Technology A First-Principles Study of Surface Magnetism in CaMnO3