会場:

エポカルつくば

日時:

2016年8月30日 (火)

～計算科学・計測技術・インフォマティクスの融合によるインテリジェント解析～
日時 2016年08月30日
13時30分 から 17時30分 まで

ポスター交流会は予定通り開催します。

懇談会は中止とさせていただきました。

[開催要項]
会場: エポカルつくば 405号室（ポスター）、406号室（ショートプレゼン、懇談会）

日時：平成28年8月30日（火）13:30～17:30　（懇談会：17:30～）

[開催趣旨]
計算科学、データ科学、数理科学の理論研究者や、それらの理論研究に対してニーズをお持ちの実験・計測研究者に、気楽にコミュニケーションしていただくための、ポスター発表のみの研究交流会です。関連分野の研究者との情報交換の場として、また新しい共同研究や新規プロジェクト提案の芽を育む場としてご利用ください。

理論の研究発表だけでなく、新しい解析手法が必要な実験・計測に関する研究発表もお待ちしています。

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無料（なお懇談会は中止となりました。）

ポスター交流会は予定通り開催します。
懇談会は中止とさせていただきました。

【ポスター発表申し込み】（締め切り8/20）
TIAに参画する各機関の世話人経由でお申し込みいただくか、下記メールアドレス宛に下記の情報をお知らせください。

発表者と所属：英語と日本語の両方でお知らせください。連名も可です。

発表タイトル：英語（外国人研究者の参加が見込まれますので、ポスターは英語で作成してください。）

交流会への参加および懇談会の申し込みは、別途お一人ずつ、参加申し込みフォームからお願いします。

meeting@cms.phys.s.u-tokyo.ac.jp

（メールのタイトルに「TIAかけはしポスター交流会」と明記してください。）

※懇談会は中止となりました。
※ポスター発表申込数が上限に達した場合には、発表をお断りすることもございます。あらかじめご了承ください。

【プログラム】
TIA”かけはし”ポスター交流会 ポスター発表プログラム(ver. 8/26/2016)

日時：平成28年8月30日（火）13:30～17:30　（懇談会：17:30～）
会場: エポカルつくば 405号室（ポスター）、406号室（ショートプレゼン、懇談会）
13:30-13:40 開会：趣旨とプログラム説明
13:40-15:00 Short presentation
15:00-16:15 ポスターAグループ(DS,ES,MS)　コアタイム
16:15-17:30 ポスターBグループ(MA,RD,EX)　コアタイム
（15:00と16:15にコーヒーをご用意します。）
17:30-19:30 懇談会

※ポスターには下記の分類ごとに番号をふっています。
DS: Data Science　19件　（広い意味でデータ科学的手法を使った研究）
ES: Electronic State 10件　（電子状態計算の手法開発、アプリ公開）
MA: Materials 16件　（特定の物質・材料のシミュレーション）
RD: Reactions & Dynamics 6件　（化学反応や動力学のシミュレーション）
MS: Miscellaneous 6件　（ツール、数値計算手法、アプリ普及）
EX: Experiment 8件　（実験手法、実験）

[DS-01]
Tien Lam Pham(1), Hiori Kino(2), Kiyoyuki Terakura(2), Takashi Miyake(2,3), Hieu Chi Dam(1,2)
(1) JAIST, (2) NIMS, (3) AIST
Construction of interatomic potential based on Gaussian Mixture Model
[DS-02]
Shoji ISHIBASHI (1,2), Hiori KINO (2), Akira UEDONO (3), Takashi MIYAKE (1,2) and Kiyoyuki TERAKURA (2)
(1) CD-FMat, AIST, (2) CMI^2, NIMS, (3) Div. Appl. Phys., Univ. Tsukuba
Prediction of positron-annihilation parameters for vacancy-type defects in ternary alloy semiconductors by data-scientific approach
[DS-03]
Yasunobu ANDO(1), So FUJIKAKE(2), and Satoshi WATANABE(2)
(1) CD-FMat, AIST, (2) Dept. Mat. Eng., U. Tokyo
Data-driven Statistical Analysis of Electrical-Transport Simulation of Molecular Junctions
[DS-04]
Yoshiyuki Yamamoto and Osamu Sugino
ISSP, Univ. Tokyo
A neural network approach to adsorbed structures of water molecules on an oxide surface
[DS-05]
Daiki Adachi(1), Synge Todo(1,2,3), Shinji Tsuneyuki(1,2,3)
(1) Dept. Phys., U. Tokyo, (2) ISSP, U. Tokyo, (3) NIMS
Structure estimation using powder X-ray experimental data and first-principles calculation
[DS-06]
Masato Okada
Univ. Tokyo and NIMS
Data driven science in TIA
[DS-07]
Koyama Yukinori
NIMS
Materials design and discovery using materials informatics
[DS-08]
Michiko Yoshitake, Shinjiro Yagyu
NIMS,
Data generation and utilization
[DS-09]
Yoyo Hinuma (1,2), Isao Tanaka (1,2,3)
(1) Kyoto Univ, (2)NIMS, (3) JFCC
Automated generation of nonpolar surface slab models for high-throughput calculations
[DS-10]
Ryoji Sahara
NIMS
Multiscale analysis based on first principles calculations in structural materials
[DS-11]
Ryo Tamura(1), Koji Hukushima(1,2)
(1)NIMS, (2)Univ. Tokyo
Estimation of spin-spin interactions from magnetization curve based on the Bayesian statistics
[DS-12]
Teppei Suzuki, Ryo Tamura, Tsuyoshi Miyazaki
NIMS
Machine learning for quantum mechanical forces of crystalline silicon
[DS-13]
Yuto Inoue, Tetsuya Sakurai, Akira Imakura, Yasunori Futamura
Univ. of Tsukuba
Distributed Parallel Implementation of Neural Network for Supercomputers
[DS-14]
Tetsuya Sakurai, Akira Imakura, Yuto Inoue, Yasunori Futamura
Univ. Tsukuba
Alternating optimization method based on nonnegative matrix factorizations for deep neural networks
[DS-15]
Thaer M. Dieb(1,2)
(1) NIMS, (2) U. Tokyo
Super Lattice Design Using Monte Carlo Tree Search
[DS-16]
Randy Jalem(1,2), Masanobu Nakayama(1,3)
(1) NIMS-GREEN, (2) NIMS-Mi2i, (3) NITech
Materials Simulations with Machine Learning for Battery Research
[DS-17]
Keitaro Sodeyama(1,2)
(1) JST-PRESTO, (2) NIMS
Liquid electrolyte materials search for Lithium-ion batteries
[DS-18]
Xiucai Ye, Kaiyang Ji, Tetsuya Sakurai
Univ. Tsukuba
Spectral clustering and discriminant analysis for unsupervised feature selection
[DS-19]
Lincon Souza(1), Chendra Hadi Suryanto(2), Kazuhiro Fukui(1)
(1)University of Tsukuba, (2)SenTech
Class Classification of Protein 3D Structure Based on Multi-view 2D Images
[ES-01]
Takahiro Misawa
ISSP, U. Tokyo
Introduction and Applications of Many-variable Variational Monte Carlo Method
[ES-02]
Youhei Yamaji
QPEC, U. Tokyo
Open-Source Software HΦ for Quantum Many-Body Electron Problems
[ES-03]
Airi Kawasaki, Osamu Sugino
ISSP, Univ. of Tokyo
ab initio wave function theory considering correlation between electron pairs
[ES-04]
Shunsuke Yamada(1), Ryosuke Akashi(1), Shinji Tsuneyuki (1,2)
(1) Dept. Phys., Univ. Tokyo, (2) ISSP, Univ. Tokyo
A new method of eigenstate calculation for huge systems based on the divide-and-conquer method
[ES-05]
Yoshifumi Noguchi and Osamu Sugino
ISSP, Univ. of Tokyo
All-electron First-Principles GW+Bethe-Salpeter Calculations
[ES-06]
Naoto Umezawa
NIMS
Development of a highly efficient first-principles method
[ES-07]
Tsuyoshi Miyazaki
(1) NIMS-MANA, (2)University College London
Development and Applications of large-scale first-principles calculation methods
[ES-08]
Ayako Nakata (1), Yasunori Ninomiya (2), Tetsuya Sakurai(3), D.R. Bowler(3), Tsuyoshi Miyazaki (1)
(1) NIMS, (2) Univ. Tsukuba, (3) UCL
Improvement of efficiency and accuracy of large-scale DFT calculations and efficient analysis of their electronic structures
[ES-09]
Yasunori Futamura(1), Yuto Inoue(1), Tetsuya Sakurai(1)
(1) Univ. Tsukuba
Applications of distributed parallel eigenvalue solver package z-Pares to large scale electronic structure calculatons
[ES-10]
Tomoya Ono
Univ. Tsukuba
Computational design of functional interface for future electronic devices using RSPACE code
[MA-01]
Taro Fukazawa (1,2), Hisazumi Akai (3,2), Yosuke Harashima (1,2), Takashi Miyake (1,2)
(1) AIST, (2) ESICMM NIMS, (3) ISSP
First-principles study of inter-site magnetic couplings in NdFe12 and NdFe12X (X=B, C, N, O, F)
[MA-02]
Yosuke Harashima (1,2), Kiyoyuki Terakura (2), Hiori Kino (2), Shoji Ishibashi (1), Takashi Miyake (1,2)
(1) AIST, (2) NIMS
Effects of crystal structure and nitrogenation on magnetization and magnetocrystalline anisotropy in yttrium-iron compounds
[MA-03]
Yuta Toga(1,6), Munehisa Matsumoto(1,6), Seiji Miyaashita(2,6), Hisazumi Akai(3,6), Shotaro Doi(3,6), Takashi Miyake(4,6), Akimasa Sakuma(5)
(1)NIMS, (2)Univ. Tokyo, (3)ISSP, Univ. Tokyo, (4)AIST, (5)Tohoku Univ., (6)ESICMM
Monte Carlo analysis for temperature dependence of magnetic anisotropy in Nd-Fe-B permanent magnet
[MA-04]
Nobuya Sato(1), Ryosuke Akashi(1), Shinji Tsuneyuki (1,2)
(1) Dept. Phys., Univ. Tokyo, (2) ISSP, Univ. Tokyo
Prediction of two-dimensional electronic states in perovskite-type oxyhydrides ATiO2H (A = K, Rb, Cs) by ab initio calculations
[MA-05]
Takao Tsumuraya(1), Tatsuya Shishidou(2), Reizo Kato(3), Tsuyoshi Miyazaki(1)
(1) NIMS, (2) Univ. Wisconsin-Milwaukee, (3) RIKEN
First-principles study of spin-orbit coupling effect on the electronic structure of π-d-type molecular conductors
[MA-06]
Shota Iizuka(1,2), Takashi Nakayama(2), Yoshitaka Tateyama(1)
(1) NIMS, (2) Chiba Univ.
Atomic and electronic structure of isoelectronic impurity complexes in Si
[MA-07]
Kazuaki Kobayashi
NIMS
My research (BN, SiC, AlN, TiN/MgO, etc.)
[MA-08]
Jun Haruyama(1), Keitaro Sodeyama(1,2,3), Yoshitaka Tateyama (1,3)
(1) NIMS, (2) JST-PRESTO, (3) ESICB Kyoto Univ.
First-principles study for all-solid-state Li-ion battery and perovskite solar cell
[MA-09]
Andrey Lyalin(1) , Tetsuya Taketsugu(1,2)
(1)GREEN, NIMS, (2) Dept. Chemistry, Hokkaido Univ.
Theoretical design of novel nanocatalysts based on abundant elements
[MA-10]
Hussein Al Assadi
(1) NIMS
Theoretical survay of doped layered sodium cobaltate for thermoelectric application
[MA-11]
Maofeng DOU(1,2), Clas Persson (3)
(1) NIMS, (2) KTH (3) University of Oslo
ZnO-InN oxynitrides with tailored optoelectronic properties for solar energy applications
[MA-12]
Hiroshi Tsukahara
IMSS, KEK
Effect of dipolar interactions in Nd-Fe-B nanocrystalline permanent magnet using large-scale micromagentics simulations
[MA-13]
Jun Nara(1), Takahiro Yamasaki(1) Junichiro Koga(2), Tsuyoshi Uda(2), Takahisa Ohno(1,3)
(1) NIMS, (2) ASMS Co. Ltd., (3) IIS, Univ. of Tokyo
Elerctronic and Geometric Structure of Thereading Screw Dislocation in 4H-SiC
[MA-14]
Christopher Kirkham(1), Tomoya Ono(2)
(1) NIMS, (2) Univ. Tsukuba
Importance of Interlayer States at the SiC/SiO2 Interface
[MA-15]
Jianbo Lin(1), Ayako Nakata (1), D.R. Bowler(2), Tsuyoshi Miyazaki (1)
(1) NIMS, (2) UCL
Large-scale DFT study on the structure optimization of Ge/Si core-shell nanowires
[MA-16]
Ryosuke Akashi
Univ. Tokyo
First-principles study on superconducting sulfur hydride under high pressure
[RD-01]
Minoru Otani
AIST
First-principles simulation tool for electrochemical reactions
[RD-02]
Terumasa Tadano(1), Shinji Tsuneyuki(2,3)
(1) Dept. Appl. Phys., Univ. Tokyo, (2) Dept. Phys., Univ. Tokyo, (3) ISSP, Univ. Tokyo
First-principles modeling of strong lattice anharmonicity and thermal conductivity in thermoelectric materials
[RD-03]
Szabova Lucie (1), Matteo Farnesi Camellone (2), Stefano Fabris (2), Yoshitaka Tateyama (1)
(1) NIMS, (2) SISSA, Italy
Molecular dynamics simulation of water dynamics at the water/solid interface of ceria-supported Pt clusters
[RD-04]
Yusuke Noda(1), Masanobu Nakayama(1,2,3,4)
(1) NIMS, MI2I, (2) NIMS, GREEN, (3) NITech (4) Kyoto Univ., ESICB
Evaluation of lithium-ion conduction in NASICON-type solid electrolyte by first-principles molecular dynamics simulation
[RD-05]
Ryuma Sato(1), Kenji Kamada(2), Ryouhei Kishi(3), Yasutaka Kitagawa(3), Masayoshi Nakano(3), Yasuteru Shigeta(1)
(1) CCS, Tsukuba Univ, (2) IFMRI, AIST, (3) Sch. Eng. Sci., Osaka Univ.
A Theoretical Studies on Up-conversion Mechanisms via Triplet-Triplet Annihilation in Solution.
[RD-06]
Hirotaka Kitoh-Nishioka
CCS, Univ. Tsukuba
Studies on Charge Transfers in Bio-system and Organic Semiconductor by Using Fragment Molecular Orbital Methods
[MS-01]
Kazuyoshi Yoshimi, Mitsuaki Kawamura, Naoki Kawashima, Osamu Sugino, Hiroshi Noguchi
ISSP, Univ. of Tokyo
Introduction of “Project for advancement of software usability in materials science” by The Institute for Solid State Physics, The University of Tokyo
[MS-02]
Tatsuya Matsushita, Yasunori Futamura, Tetsuya Sakurai
Univ. Tsukuba
Solving linear equations on multi-accelerator cluster with MAGMA
[MS-03]
Synge Todo(1), Takeo Kato(２）
(1) Dept. Phys., U. Tokyo, (2) ISSP, U. Tokyo
Material Science Simulation by MateriApps LIVE!
[MS-04]
Kanako Yoshizawa(1), Yoshihide Yoshimoto(2), Shinji Tsuneyuki(3,4)
(1) RIST, (2) Dept. Inf. (3) Dept. Phys., U. Tokyo, (4) ISSP, U. Tokyo
Computational science simulation by DFT input support tool C-Tools
[MS-05]
Yuichi Motoyama(1), Shusuke Kasamatsu(1), Takeo Kato(1), Naoki Kawashima(1), Ryouhei Kinoshita(2), Takahiro Misawa(1), Yoshio Miyamoto(2), Synge Todo(3,1,4), Shigehiro Tsuchida(2), and Kanako Yoshizawa(5)
(1) ISSP, U. Tokyo, (2) Ageha, Inc., (3) Dept. Phys., U. Tokyo, (4) NIMS, (5) RIST
MateriApps — Portal Site to Materials Science Simulation
[MS-06]
Akira Imakura , Yasunori Futamura , Tetsuya Sakurai
Univ. Tsukuba
Algorithm-based fault tolerance of the complex moment-based parallel eigensolver
[EX-01]
Takashi Uchihashi
NIMS
2D hybrid superconductors made of surface atomic layers and organic molecules
[EX-02]
Mitsunori Kurahashi
NIMS
surface magnetism and chemical reaction studied with spin-polarized atomic/molecular beam
[EX-03]
Izumi Mochizuki (1), Yuki Fukaya (2), Ayahiko Ichimiya (1) , Toshio Hyodo (1)
(1) KEK (2) JAEA
Total-reflection high-energy positron diffraction (TRHEPD) and the resent results
[EX-04]
Ken Wada (1), Izumi Mochizuki (2), Tetsuro Shirasawa (3) , Toshio Hyodo (2)
(1) QST, (2) KEK, (3) AIST
Low Energy Positron Diffraction (LEPD): Characteritics of the Method and the Development at KEK
[EX-05]
Akiko N. Itakura(1), Taro Yakabe(1), Naoya Miyauchi(2), Hajime Yoshida(3)
(1) NIMS, (2) Toho University, (3) AIST
Mapping system of Hydrogen diffused from stainless steel membrane
[EX-06]
Kenji Shinozaki
AIST
Glass structure and high efficient photoluminescence of novel oxyfluoride glass
[EX-07]
Wataru Kobayashi(1,2), Yuya Fukuzumi(1), Yutaka Moritomo(1,2)
(1)Univ. Tsukuba, (2)CiRfSE
Development of battery-type thermocell
[EX-08]
Hiroshi Akiba(1), Maiko Kofu(1), Naoki Hashimoto(1), Hirokazu Kobayashi(2), Hiroshi Kitagawa(2), Kazutaka Ikeda(3), Toshiya Otomo(3), Madhusudan Tyagi(4), Wiebke. Lohstroh(5), Osamu Yamamuro(1)
(1) ISSP, U. Tokyo, (2) Kyoto U., (3) KEK, (4) NIST, (5) TUM
Structure and dynamics of nanocrystalline palladium hydrides studied by neutron scattering

【世話人】
常行真司（東大）、杉野修（東大）、宮崎剛（NIMS）、伊藤聡（NIMS）、三宅隆（産総研）、大谷実（産総研）、櫻井鉄也（筑波大）

【主催】
TIAかけはし「計算科学とデータ科学の連携による実験データ高度解析手法の開発」

【協賛】
東京大学物性研究所 計算物質科学研究センター（CCMS）

物質・材料研究機構 情報統合型物質・材料研究拠点（MI2I）

物質・材料研究機構 国際ナノアーキテクトニクス研究拠点(MANA)

筑波大学 システム情報系

ポスト「京」重点課題(7) 「次世代の産業を支える新機能デバイス・高性能材料の創成」（CDMSI）

【お問い合わせ】
世話人代表：常行真司

meeting@cms.phys.s.u-tokyo.ac.jp

申し込みは終了しました。