Last updated: July/26/2024.

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Computational Materials Science and Engineering Symposia @ MRS-J and IUMRS
2024 MRS-J Annual Meeting, Symposium A (December 16-17, 2024)
- [SCOPE]
- Organizers
- Invited Speakers (alphabetical order)
- Ikumu WATANABE(NIMS), "Integrating Computational Approaches for Evaluating Macroscopic Material Properties Based on Heterogeneous Microstructures"
- Yusuke NODA(Kyutech), ""
- Takafumi OGAWA(JFCC), "Analysis of thermal equilibrium concentrations of point defects based on first-principles calculations and its applications"
- (), ""
- Deadline of Abstract Submission:
July 31 August ???
If you are unable to make the application in time for some reason, please contact the organizer as soon as possible.
- Registration: Early registration until Sep. 30 (Monday) 15:00
The sum of the membership fee for one year and the membership fee are cheaper than the non-member fee.
For those who want to join the Meeting at the membership discount, please complete the MRS-J membership payment in advance.
Deadline of early registration: Payment must be done by Sep. 23 2024.
Deadline of regular registration: Payment must be done by Oct. 6 2024.
Please see details.
- Contact: mrsj-organizer _at_ cmdc.ams.eng.osaka-u.ac.jp
- Awardees
- Number of Presentations
2023 MRS-J Annual Meeting, Symposium A (November 14-15, 2023)
- [SCOPE]
- Organizers
- Invited Speakers (alphabetical order)
- Masanori KOHYAMA(AIST), "Ab-initio local-energy and local-stress
calculations: recent achievement and future"
- Tatsuya YOKOI(Nagoya Univ.), "Machine-learning
descriptor and interatomic potential for accurately
predicting lattice-defect properties"
- Yoshihiro HAYASHI(ISM), "Co-creation of polymer
properties data platform by automated molecular
simulation through industry-academia
collaboration"
- Erik LOETSTEDT(Univ. of Tokyo), "Simulation of time-dependent
quantum dynamics using quantum computers"
- Deadline of Abstract Submission: July 31
If you are unable to make the application in time for some reason, please contact the organizer as soon as possible.
- Registration: Early registration until Sep. 20 (Wednesday) 15:00
The sum of the membership fee for one year and the membership fee are cheaper than the non-member fee.
For those who want to join the Meeting at the membership discount, please complete the MRS-J membership payment in advance.
Deadline of early registration: Payment must be done by Sep. 13 2023.
Deadline of regular registration: Payment must be done by Oct. 13 2023.
Please see details.
- Contact: mrsj-organizer _at_ cmdc.ams.eng.osaka-u.ac.jp
- Awardees
- Shun MUROGA (AIST), "Multimodal deep learning composite for novel informatics of composite materials"
- Yannick COUZINIE (Tokyo Institute of Technology / Quemix Inc.), "Annealing for prediction of grand canonical crystal structures"
- Norifumi ASAKUMA (Nagoya Institute of Technology), "Downshift of Ni d band center at the Ni/Si3N4 hetero-interface"
- Number of Presentations
2022 MRS-J Annual Meeting, Symposium B (December 5-6, 2022)
- [SCOPE]
- [Held in Yokohama]
- Organizers
- Invited Speakers (alphabetical order)
- Ryoji ASAHI(Nagoya Univ.), "Materials Design of Inorganic Materials using Graph Neural Network"
- Masanori ENOKI(Tohoku Univ.), "Evaluation of SRO and MSAD in alloys using first-principles cluster expansion method"
- Kazuma ITO(NIPPON STEEL), "Research on grain boundary segregation and grain boundary embrittlement in iron and steel using computational materials science"
- Seiji KAJITA(TOYOTA Central R&D Labs), "Molecular Design by Rapid Evaluation of property using Molecular Dynamics Simulations"
- Masanori KOHYAMA(AIST), "Ab initio local-energy and local-stress calculations: recent
achievement and future"
- Hannes RAEBIGER(Yokohama National Univ.), "First principles calculation of charge carriers in Mott insulators"
- Deadline of Abstract Submission:
August 19 August 29 15:00
If you are unable to make the application in time for some reason, please contact the organizer as soon as possible.
- Registration: Early registration until Oct. 14 (Friday) 15:00
The sum of the membership fee for one year and the membership fee are cheaper than the non-member fee.
For those who want to join the Meeting at the membership discount, please complete the MRS-J membership payment in advance.
Deadline of early registration: Payment must be done by Oct. 7 2022.
Deadline of regular registration: Payment must be done by Nov. 11 2022.
Please see details.
- Contact: mrsj-organizer _at_ cmdc.ams.eng.osaka-u.ac.jp
- Awardees
- Tatsuya YOKOI (Nagoya University), "Neural-network descriptor and interatomic potential for accurately predicting atomic structure and properties of lattice defects"
- Susumu FUJII (Osaka University/Japan Fine Ceramics Center), "Interpreting intrinsic nature of proton-conducting oxides for solid oxide fuel cells using high-throughput computation and machine learning"
- Yasuhide MOCHIZUKI (Tokyo Institute of Technology), "Mechanism of the negative thermal expansion in NASICON structures from calculations and experiments"
- Motoyasu KATO (Nagoya Institute of Technology), "First-principles study of photocatalytic activity of amorphous TiO2 surface"
- Number of Presentations
2021 MRS-J Annual Meeting, Symposium C (December 13-14, 2021)
- [SCOPE]
- [Brochure (in Japanese)] (Version 1.0; Updated on Aug/31/2021)
- [DETAILS] (Note: Please read through without fail.)
- [Big Changes due to Online Meeting] (Note: Last year's one)
- Organizers
- Invited Speakers (alphabetical order)
- Prof. Wilson Agerico DIÑO(Osaka Univ.), "Surface as a Playground for Exploring Physical Phenomena and a Foundation for Realizing Designer Materials: Hydrogen-Surface Reaction, a Case Study"
- Prof. Shusuke KASAMATSU(Yamagata Univ.), "First-principles-based statistical thermodynamics simulation of ion distributions in multicomponent oxide bulk and interface systems"
- Prof. Sergei MANZHOS(Tokyo Tech.), "Machine learning for large-scale ab initio simulations with orbital-free DFT"
- Prof. Tokuteru UESUGI (Osaka Pref. Univ.), "Deep Learning for Automated Microstructural and Fractographic Analysis in Metallic Materials"
- Mr. Tomoyasu YOKOYAMA (Panasonic/Tokyo Tech.), "Predicting structures and properties of organic-inorganic hybrid materials by first-principle calculations"
- Deadline of Abstract Submission: Extended to September 3 (Could be flexible due to COVID-19: Contact organizes by e-mail or such)
- Contact: mrsj-organizer _at_ cmdc.ams.eng.osaka-u.ac.jp
- Awardees
- Wataru SEKIMOTO (Osaka Unv.)
- Number of Presentations
2020 MRS-J Annual Meeting, Symposium E (December 9-11, 2020)
- [SCOPE]
- [Brochure (in Japanese)] (Version 1.0; Updated on Sep/02/2020)
- [DETAILS]
- [Big Changes due to Online Meeting]
- Organizers
- Invited Speakers (alphabetical order)
- Mr. Soungmin BAE (Yokohama Nat'l Univ.), "Electronic and magnetic properties of MXenes; recent progress in ab-initio simulation"
- Prof. Yoyo HINUMA (Tokyo Inst. Tech.), "Computational science approach to discovery of exciting active surface sites".
- Prof. Takashi KORETSUNE (Tohoku Univ.), "Automated Generation of Tight-binding Hamiltonian for Ferromagnets and Search for Transverse Thermoelectric Materials"
- Prof. Momoji KUBO (Tohoku Univ.), "Paradigm Shift by Large-Scale Simulation using Supercomputer "MASAMUNE-IMR""
- Mr. Yasuhide MOCHIZUKI (Tokyo Inst. Tech.), "Structural Exploration of?Perovskites Using First-Principles Lattice-Dynamics Calculations"
- Prof. Tomoyuki TAMURA (Nagoya Inst. Tech.), "Introducing Information Science into Grain Boundary Property Research"
- Deadline of Abstract Submission: Extended to September 4 (Could be flexible due to COVID-19: Contact organizes by e-mail or such)
- Contact: mrsj-organizer _at_ cmdc.ams.eng.osaka-u.ac.jp
- Awardees
- Mr. Tomoyasu YOKOYAMA(Panasonic/Tokyo Tech.)
- Number of Presentations
- 32 (As of Sep/15 (JST), 0 poster presentatinos and more oral presentaions than the privious year, approching the limit of presentation slots.)
2019 MRS-J Annual Meeting, Symposium E (November 27-29, 2019)
- [SCOPE]
- [Brochure (in Japanese)] (Version 1.0; Updated on Aug/11/2019)
- [DETAILS] (2018 Version)
- Organizers
- Invited Speakers (alphabetical order)
- Dr. Susumu FUJII (JFCC), "Microscopic Thermal Conduction Mechanism in Grain Boundaries Examined by Perturbed Molecular Dynamics and Structural Descriptor".
- Dr. Randy JALEM (NIMS), "DFT and informatics approaches for finding novel solid electrolytes for all-solid-state batteries"
- Prof. Akira MASAGO (Osaka Univ.), "Computational Materials Design for Gate Switching of Magnetism in Crystal"
- Prof. Yuichiro MATSUSHITA (Tokyo Inst. Tech.), "Quasiparticle spectra calculated by coupled-cluster theory"
- Prof. Hidetoshi MIYAZAKI (Nagoya Inst. Tech.), "Design and exploration of low thermal conductivity Heusler type thermoelectric conversion materials using computational science"
- Dr. Kei TERAYAMA (RIKEN AIP), "Development of efficient sampling methods based on machine learning techniques and their applications"
- Deadline of Abstract Submission: August 22
- Awardees
- Prof. Shota ONO(Gifu Univ.)
- Mr. Koichi KOSHINO(Yokohama Nat'l Univ.)
- Prof. Yoyo HINUMA(Chiba Univ.)
- The number of Presentations
2018 MRS-J Annual Meeting, Symposium D-2 (December 19-20, 2018)
- [SCOPE]
- [Brochure (in Japanese)] (Version 0.2; Updated on Aug/29/2018)
- [DETAILS]
- Organizers
- Invited Speakers (alphabetical order)
- Prof. Yoshihiro GOHDA (Tokyo Inst. Tech.), "First-principles electron theory of magnetic materials".
- Prof. Shota ONO (Gifu Univ.), "Ultrafast dynamics of nonequilibrium electrons and phonons in solids".
- Dr. Ryo TAMURA (NIMS/Univ. Tokyo), "Materials science researches by informatics techniques - atomic field extraction and odor component analysis -".
- Prof. Atsushi TOGO (Kyoto Univ.), "Software development of workflow engine to automate mixed computer simulations".
- Prof. Tatsuya YOKOI (Nagoya Univ.), "First-principles calculations of grain boundary structures and their properties".
- Dr. Daisuke YOSHIDA (Academia Sinica), "Chemistry of small carbon cluster anions and carbon hydride anions".
- Deadline of Abstract Submission: September 5
- Awardees
- Prof. Yu-ichiro MATSUSHITA(Tokyo Inst. Tech.)
- Mr. Yasuhide MOCHIZUKI(Tokyo Inst. Tech.)
- Prof. Hidewtoshi MIYAZAKI(Nagoya Inst. Tech.)
- Dr. Susumu FUJII(Osaka Univ.)
- The number of Presentations
2017 MRS-J Annual Meeting, Symposium L (December 5-6, 2017)
- [SCOPE]
- [Brochure (in Japanese)] (Version 1.1; Updated on Aug/25/2017)
- [DETAILS] (Underconstruction; please refer to the previous year's one)
- Organizers
- Invited Speakers (alphabetical order)
- Prof. Hirofumi AKAMATSU (Kyushu Univ.), "Experimental and First-Principles Study of Piezoelectric and Ferroelectric Layered Perovskite Oxides".
- Dr. Shinichi HIGAI (Murata Manufacturing Co. Ltd.), "Activities and expectations on computational simulation and materials informatics techniques for crearion of advanced functional materials".
- Prof. Masayuki KARASUYAMA (Nagoya Inst. Tech.), "Machine-learning based Grain-boundary Data Analysis: Toward Data-driven Materials Discovery".
- Dr. Takenobu NAKAMURA (AIST), "Topological Data Analysis for the Molecular Dynamics Simulation".
- Prof. Yuhki TSUKADA (Nagoya Univ.), "Simulation of martensitic transformation in steels by the phase-field method".
- Dr. Masato WAKEDA (NIMS), "Prediction of mechanical properties of structural materials based on the first principles calculation of lattice defects".
- Deadline of Abstract Submission: September 12 (Abstract can be replaced by the revised one until the middle of September)
- Awardees
- Dr. Tomohito TSURU (JAEA)
- Mr. Hiroki FUJIWARA (Osaka Univ.)
- Mr. Takumi HAYASHI (Nagoya Inst. Tech.)
- The number of Presentations
2016 MRS-J Annual Meeting, Symposium D-4 (December 19-20, 2016)
- [SCOPE]
- [Brochure (in Japanese)] (Version 2.0; Updated on Aug/29/2016)
- [DETAILS] (Underconstruction; please refer to the previous year's one)
- Organizers
- Invited Speakers (alphabetical order)
- Dr. Katsumi EIKYU (Renesas Electronics), "".
- Prof. Yu KUMAGAI (Tokyo Institute of Technology), "First-principles investigation of point defects in non-metallic materials".
- Dr. Minoru OTANI (National Institute of Advanced Industrial Science and Technology), "Recent progress in first-principles simulation technique for electrochemical interface".
- Prof. Hirohumi SAKAKIBARA (Tottori University), "First-principles derivation method of low-energy models for analysis of superconductors and magnet".
- Prof. Yoshinori SHIIHARA (Toyota Institute of Technology), "Ab initio description of stress distribution in the vicinity of lattice defects ".
- Dr. Tomohito TSURU (Japan Atomic Energy Agency), "Effects of alloying elements on deformation and fracture: First-principles approach to element strategy".
- Deadline of Abstract Submission: September 12 (Abstract can be replaced by the revised one until the middle of September)
- Awardees
- Prof. Hideki MORI (College Industrial Tech.)
- Prof. Hirofumi AKAMATSU (Tokyo Inst. Tech.)
- Mr. Takuya NAKAO (Tokyo Inst. Tech.)
- Mr. Daisuke YOSHIDA (Yokohama Nat'l Univ.)
- The number of Presentations
2015 MRS-J Annual Meeting, Symposium E-2 (December 8-12, 2015)
- [SCOPE]
- [Brochure (in Japanese)]
- [DETAILS]
- Organizers
- Invited Speakers
- Dr. Akihide KUWABARA (Japan Fine Ceramics Center), "First-principles calculations of Li ion migration at interfaces of Li1.2Mn0.567Ni0.167Co0.067O2 cathode".
- Prof. Satoru KONABE (Tokyo University of Science), "First principles thermoelectric simulation of 2D atomic layered materials".
- Prof. Motoki SHIGA (Gifu University), "First Principles Analysis of Materials Properties Modification at Metal/Oxide Interfaces".
- Prof. Tsunehiro TAKEUCHI (Toyota Institute of Technology), "Construction of a guiding principle for developing high performance thermoelectric materials".
- Dr. Hideki MINARI (Sony), "Application of atomistic simulations to development of advanced semiconductor devices".
- Dr. Masatake YAMAGUCHI (Japan Atomic Energy Agency), "Intergranular cracking of steel induced by mobile hydrogen decohesion: first-principles calculations".
- Awardees
- Dr. Yu KUMAGAI (Tokyo Institute of Technology)
- Dr. Hirofumi SAKAKIBARA (Tottori University)
- Mr. Yusuke AKADA (Osaka University)
- Mr. Daisuke KANAYAMA (Osaka University)
- The number of Presentations
2013 MRS-J Academic Symposium, Session I (December 9-10, 2013)
- Organizers
- Invited Speakers
- Prof. Ryo KOBAYASHI (Nagoya Institute of Technology), "Multiscale Simulation of Defects in Solids".
- Prof. Shingo TANAKA (National Institute of Advanced Industrial Science and Technology), "First-Principles Study of Atomic and Electronic Structures and Chemical States of LTO Surfaces and Interfaces".
- Prof. Shusuke KASAMATSU (The University of Tokyo), "First Principles Analysis of Materials Properties Modification at Metal/Oxide Interfaces".
- Prof. Masanobu NAKAYAMA (Nagoya Institute of Technology), "Discharge Reactions in Li-Ion Battery Cathode Materials using First-Principles Calculations and Electrochemical Measurements".
- Prof. Hannes RAEBIGER (Yokohama National University), "3d Transition Metal Atoms in Small Molecules and Insulators".
- Prof. Atsuto SEKO (Kyoto University), "Efficient Material Exploration Based on Systematic Density-Functional Calculations and
Machine Learning Techniques".
- Awardees
- Mr. Akira INAYOSHI (Nagoya Institute of Technology)
- Mr. Akira TAKAHASHI (Kyoto University)
- Mr. Soungmin BAE (Yokohama National University)
- The number of Presentations
IUMRS-ICEM 2012 (International Union of Materials Research Societies - International Conference for Electronic Materials, Symposium D-5 (September 24-28, 2012)
- Organizers
- Keynote Lecturers
- Prof. Jisoon IHM (Seoul National University), "Computational Design and Experimental Synthesis of Hydrogen-storage Nanomaterials"
- Prof. Georg KRESSE (University of Vienna), "The many electron Schroedinger equation: improved descriptions and applications to materials science"
- Invited Speakers
- Prof. Stefan ADAMS (National University of Singapore), "Ion Transport in Solid Electrolytes from Simulations with Bond-Valence Based Force-Fields"
- Prof. Mads BRANDBYGE (Technical University of Denmark), "Transport properties and atomic dynamics of nanoconductors from first principles calculations"
- Prof. Gour Prasad DAS (Indian Association of Cultivation of Science), "First-principles design and functionalization of Graphene-like 2D nanostructures"
- Prof. Calude EDERER (ETH Zurich), "Combining first principles electronic structure calculations for transition metal oxides with model approaches"
- Prof. Yuan Ping FENG (National University of Singapore), "Materials and Devices for Spintronics: First Principles Investigations"
- Prof. Seungwu HAN (Seoul National University), "Band structures and scattering mechanism of semiconducting oxides"
- Dr. Shoji ISHIBASHI (National Institute of Advanced Industrial Science and Technology), "Electronic structure calculation with two-component relativistic formalism"
- Prof. Junichi IWATA (The University of Tokyo), ""
- Dr. Jer-Lai KUO (Academia Sinica), "Water on GaN Surfaces"
- Dr. Sheng MENG (Chinese Academy of Sciences & Beijing National Lab for Condensed Matter Physics), "Electron dynamics for renewable energy: applications to organic photovoltaics and water photosplitting "
- Prof. Takeshi NISHIMATSU (Tohoku University), "Molecular dynamics simulations of bulk and thin-film ABO3 perovskite-type ferroelectrics"
- Prof. Shigenobu OGATA (Osaka University), "Modeling and simulation of atomic diffusion and creep deformation"
- Prof. Taisuke OZAKI (Japan Advanced Institute of Science and Technology), "Massively parallelized O(N) Krylov subspace method for large-scale density functional calculations"
- Prof. Karsten REUTER (Technical University Munich), "Beat the heat: Watching phonons getting all excited during O2 dissociation at metal surfaces"
- Prof. Osamu SUGINO (The University of Tokyo), "Development of a First-Principles Molecular Dynamics Simulation Scheme for Electrochemically Biased Solid-Liquid Interface"
- Prof. Zhongchang WANG (Tohoku University), "Atom-by-Atom Structural and Electronic Analysis of Interfaces and Grain Boundaries in Electronic Ceramics"
- Prof. Takahiro YAMAMOTO (Tokyo University of Science), "Heat Transport in Carbon Nanotubes: Non-Equilibrium Green's Function Simulation"
- Awardees
- Prof. Koretaka YUGE (Kyoto University)
- Mr. Shusuke KASAMATSU (The University of Tokyo)
- Dr. Takafumi OGAWA (Japan Fine Ceramics Center)
- Dr. Sheng MENG (Chinese Academy of Sciences & Beijing National Lab for Condensed Matter Physics)
- Prof. Hannes RAEBIGER (Yokohama National University)
- Dr. Zhongchang WANG (Tohoku University)
- Prof. Shih-kang LIN (National ChengKung University)
- The number of Presentations
2011 MRS-J Academic Symposium, Session H (December 19-20, 2011)
- Organizers
- Invited Speakers
- Prof. Yuichiro KOIZUMI (Tohoku University), "Phase-Fileld Simulation of Boundary Migration and Segregation".
- Prof. Shigenobu OGATA (Osaka University), "Atomistic modeling of diffusion and deformation".
- Prof. Kenji SHIRAISHI (Tsukuba University), "Computgational Sciences toward Developping Semiconductor Industry".
- Dr. Yoshitaka TATEYAMA (National Institute of Materials Science), "Equilibrium structures and electronic states of TiO2/solution interfaces in dye-sensitized solar cell and photocatalyst: A first-principles MD study".
- Prof. Koretaka YUGE (Kyoto University), "Alloy materials design through first-principles and statistical thermodynamics calculations".
- Prof. Zhongchang WANG (Tohoku University), "Atom-scale structure and electronic property of ordered defects at MgO grain boundaries".
- Awardees
- Prof. Yoshinori SHIIHARA (The University of Tokyo)
- Mr. Yoshito SODA (Kyoto University)
- Mr. Koji FUJIMURA (Kyoto University)
- Mr. Tsuyoshi YOSHIOKA (Waseda University)
- Prof. Ryosuke MATSUMOTO (Kyoto University)
- The number of Presentations
2010 MRS-J Academic Symposium, Session I (December 20-21, 2010)
- Organizers
- Invited Speakers
- Dr. Masanori KOHYAMA (National Institute of Advanced Science and Technology), "History and Future of Computational Materials Science in Japan: A Private Opinion".
- Prof. Takao KOTANI (Tottori University), "Recent Developments around the GW Approximation".
- Dr. Tomoyuki TAMURA (Nagoya Institute of Technology), "First-Principles Simulations on Defects in SiO2 Glasses with QMAS"
- Prof. Ryosuke MATSUMOTO (Kyoto University) "Lattice Defects-Hydrogen Interaction in Aplha Iron - Estimation Using Atomistic and Electronic Simlations - "
- Dr. Atsushi TOGO (Kyoto University), "Calculation of Phonon-Phonon Interactions Using Harmonic Perturbation Approximation".
- Dr. Hideki MORI (Osaka University), "Microscopic Phase Field Modeling of Defects - Diffusion Interaction Field in Solid"
- Awardees
- Prof. Ryo KOBAYASHI (Nagoya Institute of Technology)
- Prof. Koretaka YUGE (Kyoto University)
- Mr. Haksung LEE (The University of Tokyo)
- Mr. Yasuyuki SAKAGAMI (Kyoto University)
- Dr. Hubert VALENCIA (National Institute of Advanced Science and Technology)
- Prof. Zhongchang WANG (Tohoku University)
- The number of Presentations
2009 MRS-J Academic Symposium, Session R (December 7-8, 2009)
- Organizers
- Invited Speakers
- Dr. Hideo KABURAKI (Japan Atomic Energy Agency), "Molecular Dynamics Simulation on the Grain Boundary Embrittlement of Iron Crystal".
- Prof. Toshiyuki KOYAMA (National Institute of Materials Science), "Phase-field Simulation of Microstructure Changes and Calculation of Materials Properties".
- Prof. Munekazu OHNO (Hokkaido University), "Quantitative Phase-Field Simulation for Two Phase Solidification Process Involving Diffusion in Solid".
- Prof. Tomotsugu SHIMOKAWA (Kanazawa University), "Structural Transition of Lattice Defects in Atomic Scale Computational Experiments".
- Prof. Kenji TSURUTA (Okayama University), "Hybrid Quantum/Classical Simulations for Nanodopant Effects and Electromagnetic Responces in Nanostructured Materials".
- Prof. Fumiyasu OBA (Kyoto University), "Electronic Structure of Point Defects in Oxide Semiconductors: A Design from First Principles."
- Awardees
- Prof. Teruyasu MIZOGUCHI (The University of Tokyo)
- Dr. Tetsuya TOHEI (The University of Tokyo)
- Mr. Minseok CHOI (Kyoto University)
- The number of Presentations
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