kawazoe yoshiyuki 川添良幸

… Alternative Names

KAWAZOE Yoshiyuki 川添良幸

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Researcher Number	30091672
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Affiliation (Current)	2023: 東北大学, 未来科学技術共同研究センター, 名誉教授
Affiliation (based on the past Project Information) *help	2018 – 2019: 東北大学, 未来科学技術共同研究センター, 名誉教授 2016 – 2017: 東北大学, 未来科学技術共同研究センター, 教授 2015: 東北大学, 学内共同利用施設等, 教授 2014: 未来科学技術共同研究センター, 教授 2012 – 2014: 東北大学, 学内共同利用施設等, 名誉教授 … More 2012 – 2014: 東北大学, 未来科学技術共同研究センター, 名誉教授 2013: 東北大学, 金属材料研究所, 教授 1992 – 2011: 東北大学, 金属材料研究所, 教授 2006: Tohoku University, Institute for Materials Research, Professor 1990 – 1992: 東北大学, 金研, 教授 1990: Tohoku University, Institute for Materials Research, Professor, 金属材料研究所, 教授 1986 – 1989: 東北大学, 情報処理教育センター, 助教授 1986 – 1987: 東北大学, 情報教育センター, 助教授 Less
Review Section/Research Field	Principal Investigator Structural/Functional materials / Physical properties of metals / Nanostructural science / Environmental technology/Environmental materials / Structural/Functional materials / Applied materials science/Crystal engineering / Inorganic materials/Physical properties Except Principal Investigator Science and Engineering / Digestive surgery / Nanostructural science … More / Nanomaterials/Nanobioscience / 言語学(含音声学) / 情報システム学(含情報図書館学) / Japanese language education / 物性一般(含基礎論) / 情報図書館学・人文社会情報学 / Environmental technology/Environmental materials / Library and information science/Humanistic social informatics / Inorganic materials/Physical properties / 印度哲学(含仏教学) / Otorhinolaryngology / 表面界面物性 / Applied materials science/Crystal engineering / プラズマ理工学 / Condensed matter physics I / Japanese language education / 計算機工学 / 核・宇宙線・素粒子 / Nanomaterials engineering / Inorganic industrial materials Less
Keywords	Principal Investigator 第一原理計算 / 電子状態 / 振動状態 / 第一原理 / 材料設計 / スーパーコンピューター / マイクロクラスター / フラーレン / バンド計算 / 分子動力学 … More / 局所密度近似 / モンテカルロ法 / 吸着エネルギー / 数値シミュレーション / 全電子混合基底法 / シミュレーション研究 / 魔法数 / 磁性 / 分子性結晶 / 炭素クラスター / 電子構造 / 混合基底法 / 第一原理分子動力学法 / 構造安定性 / 分子内振動 / 全ポテンシャル / 内包フラーレン / サイエンティフィック・ビジュアリゼーション / 相転移 / 面内形状異方性 / 界面垂直異方性 / 変分法 / 平均場理論 / 交換相互作用 / ミクロスコピックな理論 / 金属有機構造体 / 動的安定性 / 水素ハイドレート / ヘルプガス / プロパン / 格子動力学 / 金属機構造体 / 吸着工ネルギー / メタンハイドレート / メタン / 自己保存効果 / 格子力学 / 熱力的性質 / ミクロ孔金属錯体物質 / 動力学的安定性 / THF / 熱力学的性質 / van der Waals力 / グラフェン / クラスレート水和物 / 時間依存DFT計算 / 有機金属構造体 / 材料探索 / ファンデルワールス力 / 金属酸化物構造体 / 水素貯蔵重量比 / 水素貯蔵材料 / MOF / ナノチューブ / Al(111)表面 / スピルオーバー過程 / 非調和格子振動算定 / 熱伝導率算定 / 熱電変換の物性理論 / 全電子混合基底法開発 / ワニエ関数 / 熱電変換の物性理論 / 熱伝導 / 電気伝導 / 熱電変換素子 / 熱電材料 / ゼーベック係数 / キャリア密度 / 磁気モーメント / 金属 / メトカー / 成長メカニズム / microcluster / electronic states / vibrational states / first principle / magnetic moment / 超高密度磁気記録材料 / 多値記録 / モンテカルロ直接法 / 希薄流 / 分子気体 / 3次元ナノ構造体 / クラスター堆積法 / クラスター堆積過程 / 希薄流シミュレーション / 古典分子動力学法 / ボルツマン方程式 / 最適作製条件 / ハイブリッドモデル / High density magnetic recording medium / Magnetic Multi-Valued / Direct Simulation Monte Carlo / Rarefied gas / Molecular flow / 3-dimensional artificial lattice / Cluster deposition method / Materials design / 磁気記録 / 磁性クラスター / 高密度 / シミュレーション / ナノテクノロジー / 低次元材料 / クラスター / 多層膜 / 異方性 / シュミレーション / 低次元系 / 遷移金属クラスター / 分子動力学法 / 高密度記録メディア / 大規模系 / 相互作用パラメーター / 超高密度記録メディア / タイトバインディング法 / Magnetic recording / Magnetic cluster / High density / First Principles calculation / Simulation / Supercomputer / Nanotechnology / Low dimensional / フォトニック結晶 / 単結晶育成 / マイクロ引き下げ法 / 共晶体 / 流体計算 / マランゴニ対流 / 機能性材料 / photonic crystal / crystal growth / micro pulling down method / Eutectic materials / computational fluid dynamics / Marangoni convection / materials design / functional materials / ペンタグラフェン / 理論材料設計 / 五角形のみからなる擬平面図形 / 新規な物性の発現 / デバイス応用 / 建築材料への応用 / 超大規模シミュレーション計算 / 独自開発第一原理計算法TOMBO / （擬）二次元構造物質 / マテリアルズインフォマティックス / 二次元磁性体 / 二次元圧電材料 / 二次元分子吸着・触媒材料 / 原子構造最適化 / カーボン材料 / 負のポアソン比 / 五員環 / ナノ炭素構造体 / 第一原理シミュレーション計算 / 全電子混合基底法TOMBO / 五員環構造 / 原子欠陥・置換 / 実験的創製 / 原子欠陥 / 置換 … More Except Principal Investigator 日本語教育 / 第一原理計算 / 音声教育 / CAI / フラーレン / 分子動力学法 / 全電子混合基底法 / 日本語学習 / Japanese language learning / 拍感覚 / コ-スウエア開発 / 促音訓練 / 長音訓練 / 自己評価 / 特殊拍 / チベット文字 / 木版刷 / 文字認識 / つながり文字 / 類似文字 / 仏典文献 / アモルファス / Zr / Ni / 塑性変形 / 傾斜機能材料 / Ni_3Al / 金属間化合物 / 応力 / 第一原理分子動力学法 / 内包フラーレン / GW近似 / 分子設計支援システム / 電子励起状態 / 分子デバイス / 光電子分光 / ナノクリスタル / CdSe / センチネルリンパ節 / 食道癌 / e-Learning / e-ラーニング / Web教材 / 分子動力学 / 水素ハイドレート / 遠隔学習 / 遠隔教育 / CALL / マルチメディア / 聴解 / 評価 / multimedia / Japanese language teaching / インターネット / e-mail communication / Internet / EXAFS / ISDN / 双方向性 / LiCaAlF_6 / BaLiF_3 / 韻律 / 促音拍 / アクセント / コースウエア開発 / ヘテロフラーレン / トポロジー / 化学反応理論 / 計算化学 / 機能性高分子 / 量子化学 / 化学アルゴリズム / トボロジー / 分子軌道計算 / 文字切り出し / オブジェクト指向 / 超冷却液体 / 引張変形 / 粘弾性挙動 / Ni基超合金 / γ' / γ界面 / ナノスケール / 格子欠陥 / タイトバインディング法 / シミュレーテッドアニーリング / 安定性 / 振動スペクトル / 表面の再構成 / IR吸収スペクトル / 凝集エネルギー / 過冷却液体 / 中間散乱因子 / 局所構造 / APB / Ni基スーパーアロイ / 界面 / FLAPW / プロチウム / 電子構造 / 格子間位置 / 水素 / 水素貯蔵合金 / 光吸収スペクトル / Bethe-Salpeter方程式 / 時間依存シュレディンガー方程式 / コラボラトリー / 強相関電子系 / 超構造 / ナノ分子クラスター / 遷移金属酸化物 / 分子性導体 / コラボと安全なネットワーク / 迅速な物性評価 / 磁性体 / 光応答 / 超伝導 / 表面・界面ナノ構造物質 / スーパーサイネット / 新規強相関物質開発 / 光キャリア注入 / 超高分解能レーザー分光装置 / ナノサイズクラスター / 界面ナノ構造 / シミュレーション計算 / 強相関電子系物質開発 / 光電子分光装置 / 多目的x線回折装置 / 分子性伝導体 / スーパーコンピュータネットワーク / 多地点IP接続テレビ会議 / 強磁場中新物質創成 / ナノ機構制御 / 放射光散乱実験 / リモートコントロール実験 / ナノテクGEID / 超大規模材料設計シュミレーション計算 / インターネットテレビ会議 / 仮想研究所 / 癌細胞イメージング / Her2 / IT / 専門用語 / ガスハイドレート / 動力学的安定性 / 熱力学的性質 / 自己保存効果 / 核形成機構 / 格子力学 / 熱力学的安定性 / 核形成メカニズム / CdSeナノクリスタル / 蛍光計測 / リアルタイムイメージング / 蛍光内視鏡手術 / 癌組織イメージング / 有機金属構造体 / マイクロポーラス材料 / 収着 / 対掌性 / 水素クラスレートハイドレート / THF / プロパン / 収着特性 / キラリティー / 有機金属系構造体 / 吸着 / 水素・水素相互作用 / MOF / 抱接分子 / 非平衡グリーン関数法 / 遺伝的アルゴズム / 量子コダクタンス / 分子架橋系 / 分子狭窄系 / 単一分子素子 / 遺伝的アルゴリズム / 量子コンダクタンス / 分子ワイヤー / グリーン関数法 / 単一公子素子 / クラウド / ディクテーション / 高品質発話 / 臨場感 / 音響シミュレーション / 通信遅延 / Web学習 / 水素貯蔵材料 / 解離 / 密度汎関数理論 / 解離反応 / ホウ化物 / 時間依存密度汎関数理論 / 標準音声 / 外国人留学生の発声に対する評価関数 / DPマッチング法 / 合成音声 / イントネーション / 外国人留学生 / 一般情報処理教育 / コンピュ-タサイエンス / コンピュ-タリテラシ- / 教育用計算機システム / 情報処理教育 / elementary courses on information science / computer science / computer literacy / educational computer system / C A I / 仏教伝播史 / 部派仏教 / 大乗仏教 / 密教 / チベット仏教 / デ-ヴァナ-ガリ-文字 / 自動認識 / イメ-ジスキャナ / of Buddhism / Hinayana Buddhism / Mahayana Buddhism / Tantric Buddhism / Tibetan Buddhism / Devanagari characters / Automatic character recognition / Image scanner / 移植 / デザイン評価 / 電子メール / 自律学習 / コミュニケーション / CALLシステム / 漢字 / データーベース / フロントエンドプロセッサ / transplantation / design evaluation / Email / self-access / communication / 材料科学 / データベース / シベリア / 生物資源 / 衛星画像 / 生物遺伝学 / 植物遺伝学 / 情報ネットワーク / 東北アジア / 生物科学 / 森林 / Material Science / Database / Siberia / Biological Resources / Satellite Images / Genetic Ecology / Market Analysis / Academic Network / Joint Research / オブジェクト指向設計 / 差分重み付ユークリッド距離 / 文字自動認識 / オブジェクト指向文字辞書 / 潰れ文字 / 繋り文字 / Wooden blocked / Tibetan manuscripts / Euclidean distance with deferential weight / Similar characters / Character recognition / Object oriented design / Buddhist texts / Character segmentation / コンピュータ通信 / 真のコミュニケーション / 学習レベル / テレビ会議 / 日本語作文 / 学習意欲 / コミュニケーションスキル / genuine communication / proficiency levels / tele-conference / Japanese e-mail writing / motivation / プロトン導電体 / ペロブスカイト型酸化物 / 人工格子 / レーザーアブレーション / イオンダイナミクス / proton conductor / perovskite-type oxides / superlattice / laser ablation / photoemission / molecular dynamics / ion dynamics / 超並列コンピュータ / 計算機シミュレー / 3次元画像入力システム / ビジュアル化 / 高速シミュレーション / 並列計算機シミュレーション / Massively parallel Computer / Numerical Simulations / 3D Image System / Visualization / High-Speed Simulations / ホームページ / 電子メール通信 / 四技能 / コミュニケーション機会 / 異文化対応力 / 社会言語学的能力 / 異文化対応能力 / 映像 / web page creation / four skills / communication opportunity / intercultural communication skill / 遠隔医療 / デジタル補聴器 / フィッティング / テレビ会議システム / digital hearing aid / CLAIDHA / remote fitting / computer network / 仕事関数 / 表面電子状態 / 走査トンネル顕微鏡 / パラジウム / 金 / 薄膜 / 局所仕事関数 / 表面ポテンシャル / 表面歪み / work function / surface electronic state / scanning tunneling microscopy / palladium / gold / thin film / 映像データベース / 発音データベース / 異文化コミュニケーション / 非言語情報 / あいづち / 通信 / Japanese Language Teaching / distance education / video database / pronunciation database / cross-cultural communication / non-verbal information / two-way path / aizuchi (back-channeling) / KMgF_3 / F_2レーザー / 光リソグラフィー / 硝材 / 真空紫外域 / 単結晶 / KMeF_3 / F_2laser / Optical lithography / Window material / VUV / Single crystal / アルカリ-フラーレンプラズマ / アルカリ-ハロゲンプラズマ / バイアス制御によるイオン照射 / ナノスケール制御 / 原子・分子内包ナノチューブ / 異原子列接合内包ナノチューブ / ナノpn接合 / ナノチューブFET / アルカリ・塩化合物加熱・気化用オーブン / ダブルカソード型プラズマ源 / 超分子構造ナノチューブ / Cs・C_<60>列接合内包SWNT / プラズマCVD法 / ナノチューブの構造変形 / C_<60>分子内包ナノチューブ / alkali-fullerene plasma / alkari-halogen plasma / ion irradiation by bias control / nanoscale control / atom / molucules encapsulated nanotubes / atoms-row junction encapsulated nanotubes / nano-pn junction / nanotube FET / 結晶工学 / ワイドギャップ半導体 / 酸化物半導体 / トランジスタ / スピントロニクス / セラミックス / 光物性 / コンビナトリアル / ワイドギャップ光学体 / Crystals Engineerng / Wide band gap Semiconductor / Oxide Semiconductors / Transistors / Spintronics / Ceramics / Optical Properties / Combinatorial / 金属内包シリコンフラーレン / シリコンナノチューブ / ナノクラスター / ナノテクノロジー / ナノ構造体 / 材料設計 / 機能性材料 / metal encapsulated silicon fullerene / silicon nanotube / nanocluster / nanotechnology / nano structure / first principle calculations / material design / functional materials / 微小粒子 / 半導体粒子 / 化合物半導体 / 光触媒 / 光電気化学反応 / 粒径制御 / 化学変換 / 分子分解 / 硫化物半導体 / 硫化水素分解 / small particle / semiconducting particle / compound semiconductor / photo-catalyst / photo-electrochemical process / size control / chemical transformation / molecular decomposition / シリコン系ナノ粒子 / π電子材料 / クラスター成長 / モンテカルロ直接法 / 希薄流 / ハイブリッドモデル / ケイ素重合体 / 階層化モデル / 金属内包シリコンクリスター / 機能性薄膜 / silicon particle / n-electron materials / cluster growth / direct simulation Monte Carlo / rarefied gas / first principles calculations / hybrid model / silicon polymer / ウェブ教材 / ロールプレイ / ビジネス場面 / ビデオ映像 / 多元メディア / 発音学習支援 / 学習意欲保持 / 授業ビデオ / 学習支援システム / distance learning / web-based material / role-play / interactivity / business situation / video clip / 頭脳構造計算機 / 思考的機構 / 汎用パイプライン / 関数型言語FP / グラフ簡約マシン / FFP言語 / イメージ処理 / コンピューター・グラフィックス / 汎用パイプライン型計算機 / 関数型プログラム / 思考過程 / グラフ簡約 / the Brain-Structured Xomputer / the human brain / gemeral-purpose pipeline / FP graph reduction machine / FFP language / thinking scheme / computer graphics / 原子核構造 / 同時計数法実験 / ガンマ線の多重極転移強度 / Nuclear Structure / Coincidence Experiment / Intensive listening / タスク / パ-ソナルコンピュ-タ / intensive listening / 聞き取り / パーソナルコンピューター / 音声データ / infensivelictening / 拍 / Teaching of Japanese / Listening Comprehension / Intensive Listening / Task / Personal Computer / ビーライト / 微量成分 / 水和活性 / 密度汎関数法 / ナノマイクロ構造解析 / セメントクリンカー / ナノポーラス材料 / 包接水和物 / 金属有機構造体 / コンピューター・シミュレーション / ホスト-ゲスト相互作用 / ガス貯蔵・分離 / 熱力学的特性 / 水素結合ネットワーク / Nanoporous materials / Clathrate hydrate / Metal-organic framework / Computer simulation / guest-host interaction / gas storage/separation / hermodynamic properties / 高効率ゲストホスト化合物設計 / thermodynamic properties Less

Theoretical design and experimental realization of multifunctional nanoporous materials for advanced energy and medical applications
- Principal Investigator
  
  Belosludov Rodion
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Inorganic industrial materials
- Research Institution
  Tohoku University
Penta-graphene: Development and Creation of FunctionsPrincipal Investigator
- Principal Investigator
  
  Kawazoe Yoshiyuki
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Inorganic materials/Physical properties
- Research Institution
  Tohoku University
Theoretical prediction of hydraulic activity of beta-form belite doped with trace elements
- Principal Investigator
  
  SAKURADA RYOJI
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Nanomaterials engineering
- Research Institution
  Akita National College of Technology
Theoretical investigation and design of high density hydrogen storage materials using spill over process
- Principal Investigator
  
  RYOJI Sahara
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Inorganic materials/Physical properties
- Research Institution
  National Institute for Materials Science
Theoretical design of thermal condutive- and thermoelectric- devices by all electron mixed basis ab initio calculatioPrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoshiyuki
- Project Period (FY)
  2012 – 2013
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Structural/Functional materials
- Research Institution
  Tohoku University
Ultra high-performance and -reliablity design of metal-organic materials for high-density hydrogen storagePrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoehiyuki
- Project Period (FY)
  2011 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Environmental technology/Environmental materials
- Research Institution
  Tohoku University
High quality provision method of Japanese e-Learning courseware using the Cloud.
- Principal Investigator
  
  INOGUCHI Yasushi
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Library and information science/Humanistic social informatics
- Research Institution
  Japan Advanced Institute of Science and Technology
Evaluation and Survey of Electron Transport through Organic Molecules for Molecular Devices
- Principal Investigator
  
  MIZUSEKI Hiroshi
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  Tohoku University
In vivo real time imaging of esophageal cancer with CdSe nanoparticle
- Principal Investigator
  
  KAMEI Takashi
- Project Period (FY)
  2007 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Digestive surgery
- Research Institution
  Tohoku University
ナノポーラスを制御したガス吸蔵材料の設計
- Principal Investigator
  
  ベロスルドフロディオン (BELOSLUDOV R.V.)
- Project Period (FY)
  2007 – 2009
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Nanostructural science
- Research Institution
  Tohoku University
Theoretical Design of Nanoporous Materials for Hydrogen Storage MaterialsPrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoshiyuki
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanostructural science
- Research Institution
  Tohoku University
IT技術者養成向け日本語教育e-Learningシステムに関する研究
- Principal Investigator
  
  INOGUCHI Yasushi
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  情報図書館学・人文社会情報学
- Research Institution
  Japan Advanced Institute of Science and Technology
新エネルギー資源としてのクラスレートハイドレートの相安定性検討
- Principal Investigator
  
  BELOSLUDOV Rodion
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Environmental technology/Environmental materials
- Research Institution
  Tohoku University
新規蛍光物質CdSeナノクリスタルによる食道癌細胞の生体内イメージング
- Principal Investigator
  
  MIYATA Go
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Digestive surgery
- Research Institution
  Tohoku University
Chemical Transformation Networks using Ultra-small Particles
- Principal Investigator
  
  KASUYA Atsuo
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Condensed matter physics I
- Research Institution
  Tohoku University
Cluster growth and deposition processes and novel properties by hybrid model
- Principal Investigator
  
  TAKAHASHI Masae
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  Tohoku University
Research on Distance Learning System for Japanese Language with Diverse Media Application
- Principal Investigator
  
  SAITA Izumi
- Project Period (FY)
  2004 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Japanese language education
- Research Institution
  Tohoku University
Design and melt growth for novel photonic crystals by micro pulling down methodPrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoshiyuki
- Project Period (FY)
  2003 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Applied materials science/Crystal engineering
- Research Institution
  Tohoku University
Prediction of Stable structure and properties for new silicon nanowire
- Principal Investigator
  
  MARCEL Sluiter
- Project Period (FY)
  2003 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Nanostructural science
- Research Institution
  Tohoku University
Exploration of photonic electronic magnetic and their mutual functionalities in non-equilibrium and transparent oxide thin films accelerated by parallel epitaxy
- Principal Investigator
  
  KAWASAKI Masashi
- Project Period (FY)
  2002 – 2006
- Research Category
  
  Grant-in-Aid for Creative Scientific Research
- Research Institution
  Tohoku University
新しい研究ネットワークによる電子相関系の研究-物理学と化学の真の融合を目指して-
- Principal Investigator
  
  茅幸二
- Project Period (FY)
  2001 – 2005
- Research Category
  
  Grant-in-Aid for Creative Scientific Research
- Research Institution
  The Institute of Physical and Chemical Research
  Okazaki National Research Institutes
Development of the Creation Method of New Functional Evolved-Nanotubes by Using Plasma Ion Irradiation
- Principal Investigator
  
  HATAKEYAMA Rikizo
- Project Period (FY)
  2001 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  プラズマ理工学
- Research Institution
  Tohoku University
全電子混合基底第一原理分子動力学法による分子設計・物質設計
- Principal Investigator
  
  大野かおる
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Yokohama National University
Development of new fluoride single crystals as VUV window materials for next-generation optical lighography
- Principal Investigator
  
  FUKUDA Tsuguo
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Applied materials science/Crystal engineering
- Research Institution
  Tohoku University
水素貯蔵合金の電子論による評価、表面の水素吸収過程と格子間水素のシミュレーション
- Principal Investigator
  
  相原智康
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
全電子混合基底第一原理分子動力学法による分子設計・物質設計
- Principal Investigator
  
  大野かおる
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
Film thickness, strain and atomic structure dependencies on the work function
- Principal Investigator
  
  WATANABE Yosuke
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  表面界面物性
- Research Institution
  Tohoku University
Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo MethodPrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoshiyuki
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Structural/Functional materials
- Research Institution
  Tohoku University
A Study on Two-way Distance Learning System of Japanese Language
- Principal Investigator
  
  SAITA Izumi
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Japanese language education
- Research Institution
  TOHOKU UNIVERSITY
Application of new magnetism produced by low dimentional materials to realize ultra high density recording mediaPrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoshiyuki
- Project Period (FY)
  1999 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical properties of metals
- Research Institution
  Tohoku University
Remote fitting system for digital hearing aids using the computer network
- Principal Investigator
  
  TAKASAKA Tomonori
- Project Period (FY)
  1998 – 1999
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Otorhinolaryngology
- Research Institution
  TOHOKU UNIVERSITY
過冷却液体における秩序形成のダイナミクスに関する研究
- Principal Investigator
  
  相原智康
- Project Period (FY)
  1997
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
ナノスケールで変化した傾斜構造の物理的・力学的挙動の原子レベルシュミレーション
- Principal Investigator
  
  相原智康
- Project Period (FY)
  1997
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
A Research on CALL to Develop Multi-skills in Japanese
- Principal Investigator
  
  SAITA Izumi
- Project Period (FY)
  1997 – 1998
- Research Category
  
  Grant-in-Aid for international Scientific Research
- Research Field
  
  Japanese language education
- Research Institution
  Tohoku University
過冷却液体ならびにアモルファスの応力下におけるダイナミックスと力学的挙動
- Principal Investigator
  
  相原智康
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
ナノスケールで変化した傾斜構造の物理的・力学的挙動の原始レベルシミュレーション
- Principal Investigator
  
  相原智康
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
比直交基底タイトバインディング分子動力学法の開発とフラーレン構造体への応用
- Principal Investigator
  
  ESFARJANI Keivan
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  物性一般(含基礎論)
- Research Institution
  Tohoku University
オブジェクト指向設計による木版刷チベット文献の文字自動認識に関する研究
- Principal Investigator
  
  KOJIMA Masami
- Project Period (FY)
  1995 – 1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku Institute of Technology
炭素マイクロクラスターの電子状態・振動状態に関する第一原理的研究Principal Investigator
- Principal Investigator
  
  川添良幸
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
磁性薄膜・多層膜の磁化方向転移に関する材料物性研究Principal Investigator
- Principal Investigator
  
  川添良幸
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for General Scientific Research (C)
- Research Field
  
  Structural/Functional materials
- Research Institution
  Tohoku University
A Research on a Communicative Japanese CALL System
- Principal Investigator
  
  SAITA Izumi
- Project Period (FY)
  1995 – 1996
- Research Category
  
  Grant-in-Aid for international Scientific Research
- Research Institution
  Tohoku University
Study on fast ion dynamics in superionic conductors
- Principal Investigator
  
  ISGIGAME Mareo
- Project Period (FY)
  1995 – 1997
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Research Institute for Science Measurement, Tohoku University
Study on Massively Parallel Simulations and Visualizations
- Principal Investigator
  
  HORIGUCHI Susumu
- Project Period (FY)
  1995 – 1996
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  情報システム学(含情報図書館学)
- Research Institution
  JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY,Hokuriku
炭素マイクロクラスターの電子状態・振動状態に関する第一原理的研究Principal Investigator
- Principal Investigator
  
  川添良幸
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
Database Network on Research in Northern Asia with Siberia
- Principal Investigator
  
  TOKUDA Masanori
- Project Period (FY)
  1994 – 1995
- Research Category
  
  Grant-in-Aid for international Scientific Research
- Research Institution
  TOHOKU University
Research on Automatic Character Recognition of Wooden Blocked Tibetan Manuscripts
- Principal Investigator
  
  KOJIMA Masami
- Project Period (FY)
  1994 – 1995
- Research Category
  
  Grant-in-Aid for General Scientific Research (C)
- Research Field
  
  情報システム学(含情報図書館学)
- Research Institution
  Tohoku Institute Of Technology
炭素クラスターの理論研究と分子設計
- Principal Investigator
  
  大澤映二
- Project Period (FY)
  1993 – 1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Toyohashi University of Technology
炭素・マイクロクラスターの電子状態・振動状態に関する第一原理的研究Principal Investigator
- Principal Investigator
  
  川添良幸
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
Ab-initio study of electronic and vibrational states of metal microclustersPrincipal Investigator
- Principal Investigator
  
  KAWAZOE Yoshiyuki
- Project Period (FY)
  1993 – 1994
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  Physical properties of metals
- Research Institution
  Tohoku Univ.
Research on a CALL to Foster Integrated Japanese Proficiency
- Principal Investigator
  
  OTSUBO Kazuo, 才田いずみ
- Project Period (FY)
  1992 – 1993
- Research Category
  
  Grant-in-Aid for international Scientific Research
- Research Institution
  Tohoku University
外国人日本語学習者のための音声学習支援システムの研究
- Principal Investigator
  
  才田いずみ
- Project Period (FY)
  1991
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
外国人日本語学習者のための音声学習支援システムの研究
- Principal Investigator
  
  SAITA Izumi
- Project Period (FY)
  1989
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
外国人日本語学習者のための音声学習支援システムの研究
- Principal Investigator
  
  才田いずみ
- Project Period (FY)
  1989 – 1990
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
外国人日本語学習者のための音声学習支援システムの研究
- Principal Investigator
  
  才田いずみ
- Project Period (FY)
  1989 – 1992
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
Research on a Methodology of Promoting General Education About Information Processing.
- Principal Investigator
  
  HASEGAWA Toshiharu
- Project Period (FY)
  1989 – 1990
- Research Institution
  Kyoto University
The Historical and Doctrinal Background of the Formation of the Buddhist Schools in the History of the Propagation of Buddhism.
- Principal Investigator
  
  TSUKAMOTO Keisho
- Project Period (FY)
  1989 – 1990
- Research Category
  
  Grant-in-Aid for Co-operative Research (A)
- Research Field
  
  印度哲学(含仏教学)
- Research Institution
  Tohoku University,
Research on a Computer Aided Instruction System for Basic Listening Skills in Japanese
- Principal Investigator
  
  SAITA Izumi
- Project Period (FY)
  1988 – 1989
- Research Category
  
  Grant-in-Aid for General Scientific Research (C)
- Research Field
  
  言語学(含音声学)
- Research Institution
  TOHOKU UNIVERSITY
Research on a Thinking Scheme of the Brain-Structured Computer Research on a Thinking Scheme of the Brain-Structured Computer
- Principal Investigator
  
  NAKAMURA Tadao
- Project Period (FY)
  1986 – 1987
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  計算機工学
- Research Institution
  TOHOKU UNIVERSITY
Study of Nuclear Structure by the (e,e' ) Reaction
- Principal Investigator
  
  TSUBOTA Hiroaki
- Project Period (FY)
  1986 – 1987
- Research Category
  
  Grant-in-Aid for General Scientific Research (C)
- Research Field
  
  核・宇宙線・素粒子
- Research Institution
  TOHOKU UNIVERSITY
合成音声を使った日本語教授法の研究
- Principal Investigator
  
  原土洋
- Project Period (FY)
  1985 – 1987
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  言語学(含音声学)
- Research Institution
  Tohoku University

[Book] 水素利用技術集成2014
- Author(s)
  佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
- Total Pages
  6
- Publisher
  エヌティーエス出版
- Data Source
  KAKENHI-PROJECT-24560813
[Book] 水素利用技術集成Vol. 4(担当した章のタイトル: 全電子混合基底法プログラムを用いた水素貯蔵材料設計)2014
- Author(s)
  佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
- Total Pages
  7
- Publisher
  エヌ・ティー・エス出版
- Data Source
  KAKENHI-PROJECT-24560813
[Journal Article] Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation2020
- Author(s)
  Gets Kirill、Belosludov Vladimir、Zhdanov Ravil、Bozhko Yulia、Belosludov Rodion、Subbotin Oleg、Marasanov Nikita、Kawazoe Yoshiyuki
- Journal Title
  
  Applied Surface Science 2020
  
  Volume: 499 Pages: 143644-143644
- DOI
  10.1016/j.apsusc.2019.143644
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03122
[Journal Article] The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water2020
- Author(s)
  V. Belosludov, K Gets, R Zhdanov, V Malinovsky, Y Bozhko, R Belosludov, N Surovtsev, O Subbotin and Y. Kawazoe
- Journal Title
  
  Scientific Reports 2020
  
  Volume: Volume: 10 Pages: 7323-7323
- DOI
  10.1038/s41598-020-64210-1
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03122
[Journal Article] Interfacial properties of penta-graphene-metal contacts2019
- Author(s)
  Hassan Arzoo、Guo Yaguang、Wang Qian、Kawazoe Yoshiyuki、Jena Puru
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 125 Pages: 065308-065308
- DOI
  10.1063/1.5085414
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] N-doped peanut-shaped carbon nanotubes for efficient CO2 electrocatalytic reduction2019
- Author(s)
  Zhou Wenyang、Shen Haoming、Wang Qian、Onoe Jun、Kawazoe Yoshiyuki、Jena Puru
- Journal Title
  
  Carbon
  
  Volume: 152 Pages: 241-246
- DOI
  10.1016/j.carbon.2019.05.078
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384, KAKENHI-PROJECT-18H01826
[Journal Article] Phase diagram and composition of water based crystalline phases in hydrogen - Water binary system2019
- Author(s)
  R. K. Zhdanov, Yu. Yu. Bozhko, V. R. Belosludov, O. S. Subbotin, K. V. Gets, R. V. Belosludov, and Y. Kawazoe
- Journal Title
  
  SOLID STATE COMMUNICATIONS 2019
  
  Volume: Volume: 294 Pages: 6-10
- DOI
  10.1016/j.ssc.2019.03.002
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03122
[Journal Article] Magnetism in two-dimensional materials beyond graphene2019
- Author(s)
  Sethulakshmi, N; Mishra, A; Ajayan, PM; Kawazoe, Y; Roy, AK; Singh, AK; Tiwary, CS,
- Journal Title
  
  MATERIALS TODAY
  
  Volume: 27 Pages: 107-122
- DOI
  10.1016/j.mattod.2019.03.015
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Thermal transport properties of penta-graphene with grain boundaries2019
- Author(s)
  Sun Jie、Guo Yaguang、Wang Qian、Kawazoe Yoshiyuki
- Journal Title
  
  Carbon
  
  Volume: 145 Pages: 445-451
- DOI
  10.1016/j.carbon.2019.01.015
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Applications of aesthetic pentagon-shaped stereo tiling employing pentagraphene carbon - star walls and embossment design2019
- Author(s)
  Hagita Katsumi、Kawazoe Yoshiyuki、Ogino Masao
- Journal Title
  
  AIP Advances
  
  Volume: 9 Pages: 035001-035001
- DOI
  10.1063/1.5085641
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04494, KAKENHI-PROJECT-17H02829, KAKENHI-PROJECT-17H03384
[Journal Article] Design of pentagonal NbX monolayers for electronics and electrocatalysis2019
- Author(s)
  Chen Wenzhou、Yang Ming、Sun Yi-Yang、Kawazoe Yoshiyuki、Shi Xingqiang、Pan Hui
- Journal Title
  
  Applied Surface Science
  
  Volume: 479 Pages: 595-600
- DOI
  10.1016/j.apsusc.2019.02.110
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts2018
- Author(s)
  Chen Wenzhou、Kawazoe Yoshiyuki、Shi Xingqiang、Pan Hui
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Pages: 18348-18354
- DOI
  10.1039/c8cp02470g
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Topological Nodal-Net Semimetal in a Graphene Network Structure2018
- Author(s)
  Wang, JT; Nie, SM; Weng, HM ; Kawazoe, Y ; Chen, CF
- Journal Title
  
  PHYSICAL REVIEW LETTERS
  
  Volume: 120
- DOI
  10.1103/physrevlett.120.026402
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials2018
- Author(s)
  Liu Jie、Li Xiaoyin、Wang Qian、Kawazoe Yoshiyuki、Jena Puru
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 6 Pages: 13816-13824
- DOI
  10.1039/c8ta04428g
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Monoclinic C-16: sp(2)-sp(3) hybridized nodal-line semimetall protected by PT-symmetry2018
- Author(s)
  Feng, X ; Wu, QS; Cheng, Y ; Wen, B; Wang, Q ; Kawazoe, Y ; Jena, P
- Journal Title
  
  CARBON
  
  Volume: 127 Pages: 527-532
- DOI
  10.1016/j.carbon.2017.11.046
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Extensive first-principles molecular dynamics study on Li encapsulation into C-60 and its experimental confirmation2018
- Author(s)
  Ohno K.、Manjanath A.、Kawazoe Y.、Hatakeyama R.、Misaizu F.、Kwon E.、Fukumura H.、Ogasawara H.、Yamada Y.、Zhang C.、Sumi N.、Kamigaki T.、Kawachi K.、Yokoo K.、Ono S.、Kasama Y.
- Journal Title
  
  NANOSCALE
  
  Volume: 10 Pages: 1825-1836
- DOI
  10.1039/c7nr07237f
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26286011, KAKENHI-PROJECT-17H03384, KAKENHI-PROJECT-15K04711, KAKENHI-PROJECT-16K13678, KAKENHI-PROJECT-18K03598
[Journal Article] Ozone storage capacity in clathrate hydrates formed by O3 + O2 + N2 + CO2 gas mixtures2018
- Author(s)
  O. S. Subbotin, Y. Y. Bozhko, K. V. Gets, R. Zhdanov, V. R. Belosludov, R. V. Belosludov and Y. Kawazoe
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: in press Pages: 12637-12641
- DOI
  10.1039/c8cp01595c
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03122
[Journal Article] Tuning the electronic and magnetic properties of graphene/h-BN hetero nanoribbon: A first-principles investigation2018
- Author(s)
  Das Tisita、Chakrabarty Soubhik、Kawazoe Y.、Das G. P.
- Journal Title
  
  AIP Advances
  
  Volume: 8 Pages: 065111-065111
- DOI
  10.1063/1.5030374
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs)2018
- Author(s)
  Shao Yangfan、Shao Mengmeng、Kawazoe Yoshiyuki、Shi Xingqiang、Pan Hui
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 6 Pages: 10226-10232
- DOI
  10.1039/c8ta00635k
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] Initial Water Adsorption Property of Manganese-Doped Belite by First-Principles Calculation2017
- Author(s)
  Ryoji Sakurada, Masami Uzawa, Yoshifumi Hosokawa, Syun-ichiro Uchida, Yoshiyuki Kawazoe, Rodion Vladimirovich Belosludov, Aaditya Manjanath, and Abhishek Kumar Singh
- Journal Title
  
  Journal of Civil Engineering and Architecture Research
  
  Volume: 4 Pages: 2011-2018
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Journal Article] Polarons in endohedral Li+@C-60(-) dimers and in 1D and 2D crystals2017
- Author(s)
  Kawazoe, Y; Belosludov, VR ; Zhdanov, RK; Belosludov, RV
- Journal Title
  
  SOLID STATE COMMUNICATIONS
  
  Volume: 265 Pages: 1-5
- DOI
  10.1016/j.ssc.2017.07.017
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Journal Article] First-Principles Study of the Effect of Trace Impurity on Initial Water Adsorption onto Belite2016
- Author(s)
  Ryoji Sakurada, Masami Uzawa, Yoshifumi Hosokawa, Syun-ichiro Uchida, Yoshiyuki Kawazoe, Aaditya Manjanath, and Abhishek Kumar Singh
- Journal Title
  
  Journal of Civil Engineering and Architecture Research
  
  Volume: Vol.3 Pages: 1826-1832
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Journal Article] Porphyrin-based porous sheet: Optoelectronic properties and hydrogen storage2015
- Author(s)
  G. Z. Zhou, Q. Sung, Y. Kawazoe, and P. Jena
- Journal Title
  
  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
  
  Volume: Vol.40, No.9. Pages: 3689-3696
- DOI
  10.1016/j.ijhydene.2015.01.069
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] STRUCTURAL ANALYSIS OF BETA-DICALCIUMSILICATE MODIFIED BY INCORPORATION OF TRACE ELEMENT2015
- Author(s)
  R. Sakurada, M. Uzawa, Y. Hosokawa, Y. Kawazoe, and A. K. Singh
- Journal Title
  
  40th Conference on Our World in Concrete & Structures
  
  Volume: Vol.34 Pages: 435-442
- Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Journal Article] Theoretical Study of Hydrogen Storage in Binary Hydrogen-methane Clathrate Hydrates2014
- Author(s)
  R. V. Belosludov, R. K. Zhdanov, O. S. Subbotin, H. Mizuseki Y. Kawazoe and V. R. Belosludov
- Journal Title
  
  J. Renewable Sustainable Energy
  
  Volume: 6 Pages: 053132-053132
- DOI
  10.1063/1.4899075
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Theoretical investigation of structures and compositions of double neon-methane clathrate hydrates, depending on gas phase composition and pressure2014
- Author(s)
  Yu. Yu. Bozhko, O. S. Subbotin, V. M. Fomin, V. R. Belosludov and Y. Kawazoe,
- Journal Title
  
  J. Eng. Thermophys.
  
  Volume: vol.23, iss.1 Pages: 9-19
- DOI
  10.1134/s1810232814010020
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Cooperatively Enhanced Catalytic Properties of Ti@Al(100) Near-surface Alloy for Aluminum Hydrogenation2014
- Author(s)
  M. M. Zheng, S. L. Xiu, P. Zhao, Y. Zhang, H. Y. Liu, S. J. Li, T. Q. Ren, G. Chen and Y. Kawazoe
- Journal Title
  
  Int. J. Hydrogen Energy
  
  Volume: 39 Pages: 11963-11975
- DOI
  10.1016/j.ijhydene.2014.06.024
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) e First principles study2014
- Author(s)
  R. Lavanya, V.J. Surya, I. Lakshmi, K. Iyakutti, V. Vasu, H. Mizuseki and Y. Kawazoe
- Journal Title
  
  Int. J. Hydrogen Energy
  
  Volume: 39 Pages: 4973-4980
- DOI
  10.1016/j.ijhydene.2014.01.048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] First Principles Studies on Hydrogen Storage in Single-walled Carbon Nanotube Functionalized with TiO22014
- Author(s)
  M. Kanmani, R. Lavanya, D. Silambarasan, K. Iyakutti, V. Vasu and Y. Kawazoe
- Journal Title
  
  Solid State Commun.
  
  Volume: 183 Pages: 1-7
- DOI
  10.1016/j.ssc.2013.12.017
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Theoretical investigation of structures, compositions, and phase transitions of neon hydrates based on ices Ih and II2014
- Author(s)
  Yu. Yu. Bozhko, O. S. Subbotin, V. M. Fomin, V. R. Belosludov and Y. Kawazoe
- Journal Title
  
  J. Eng. Thermophys.
  
  Volume: vol.23, iss.1 Pages: 20-26
- DOI
  10.1134/s1810232814010032
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Stability and composition of helium hydrates based on ices Ih and II at low temperatures2014
- Author(s)
  Rodion V. Belosludov, Yulia Y. Bozhko, Oleg S. Subbotin,‡ Vladimir R. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe, and Vasily M. Fomin,
- Journal Title
  
  J.Phys.Chem.C
  
  Volume: vol.118, iss.5 Pages: 2587-2593
- DOI
  10.1021/jp411241s
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027, KAKENHI-PROJECT-24656575
[Journal Article] Improved Interaction of Hydrogen on Transition-Metal-Doped Al(100) Stepped Surface2014
- Author(s)
  M. M. Zheng, Q. Ren, G. Chen and Y. Kawazoe
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 118 Pages: 7442-7450
- DOI
  10.1021/jp500178y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Lithium-doped triazine-based graphitic C3N4 sheet for hydrogen storage at ambient temperature2014
- Author(s)
  Guizhi Zhu, Kun Lu, Qiang Sun, Yoshiyuki Kawazoe amd Puru Jena
- Journal Title
  
  Computational Materials Science
  
  Volume: vol.81 Pages: 275-279
- DOI
  10.1016/j.commatsci.2013.08.015
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Engineering of Band Gap in Metal－Organic Frameworks by Functionalizing Organic Linker: A Systematic Density Functional Theory Investigation2014
- Author(s)
  Hung Q. Pham, Toan Mai, Nguyen-Nguyen Pham-Tran, Yoshiyuki Kawazoe, Hiroshi Mizuseki and Duc Nguyen-Manh
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 118 Pages: 4567-4577
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] “Investigation of Gas Sensing Property of Single Walled Carbon Nanotube”2013
- Author(s)
  K. Iyakutti, V. J. Surya, G. Britta Mary, T. Suthan and Y. Kawazoe,
- Journal Title
  
  Asian J. Chem.
  
  Volume: Suppl. Issue, Vol.25
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] “Role of Single Walled Carbon Nanotube in Nanophase MgH2 Hydrogen Storage System”2013
- Author(s)
  K. Iyakutti, R. Lavanya, V. J. Surya, V. Vasu, Y. Kawazoe and H. M izuseki
- Journal Title
  
  Asian J. Chem
  
  Volume: Vol.25
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Theoretical Modelling of the Phase Diagrams of Clathrate Hydrates for Hydrogen Storage Applications2012
- Author(s)
  R. V. Belosludov, R. K. Zhdanov, O. S. Subbotin, H. Mizuseki, M. Souissi, Y. Kawazoe, and V. R. Belosludov
- Journal Title
  
  Mol.Sim.
  
  Volume: 38 Pages: 773-780
- DOI
  10.1080/08927022.2011.654204
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027, KAKENHI-PROJECT-24656575
[Journal Article] Theoretical Investigation of Ozone Hydrate Formation Conditions2012
- Author(s)
  O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, and V. R. Belosludov
- Journal Title
  
  J. Str. Chem.
  
  Volume: 53 Pages: 627-633
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] An Atomistic Level Description of Guest Molecule Effect on the Formation of Hydrate Crystal Nuclei by Ab Initio Calculations2012
- Author(s)
  R. V. Belosludov, H. Mizuseki, M. Souissi, Y. Kawazoe, J. Kudoh, O. S. Subbotin, T. Adamova, and V. R. Belosludov
- Journal Title
  
  J. Str. Chem.
  
  Volume: 53 Pages: 619-626
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Calcium-decorated Graphene for Hydrogen Storage : A van der Waals Density Functional Study2012
- Author(s)
  V.Wang, H.Mizuseki, H.P.He, G.Chen, S.L.Zhang, Y.Kawazoe
- Journal Title
  
  Comput.Mater.Sci.
  
  Volume: 55 Pages: 180-185
- DOI
  10.1016/j.commatsci.2011.12.006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Modification of Graphene as Active Hydrogen Storage Medium by Strain Engineering2012
- Author(s)
  V. J. Surya, K. Iyakutti, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  Comput. Mater. Sci.
  
  Volume: 65 Pages: 144-148
- DOI
  10.1016/j.commatsci.2012.07.016
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] First-principles Study of the H_2 Splitting Processes on Pure and Transition-metal-doped Al (111) Surfaces2011
- Author(s)
  Q.Peng, G.Chen, L.J.Kang, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Int.J.Hydrogen Energy
  
  Volume: 36 Pages: 12742-12752
- DOI
  10.1016/j.ijhydene.2011.07.052
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Hydrogenation-chain-opened Conductive Channels in Zigzag Graphene Nanoribbons2011
- Author(s)
  D.-D. Wu, F. Jiang, G. Yin, H. Chen, Y.-Y. Liang, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  J. Appl. Phys
  
  Volume: 110 Pages: 33712-33712
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Single Walled Carbon Nanotubes Functionalized with Hydrides as Potential Hydrogen Storage Media : A Survey of Intermolecular Interactions2011
- Author(s)
  V.J.Surya, K.Iyakutti, V.P.Venkatesh, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Phys.Status Solidi B
  
  Volume: 43 Pages: 1528-1534
- DOI
  10.1002/pssb.201046532
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] ydrogenation-chain-opened Conductive Channels in Zigzag Graphene Nanoribbon2011
- Author(s)
  D.-D.Wu, F.Jiang, G.Yin, H.Chen, Y.-Y.Liang, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  J.Appl.Phys.
  
  Volume: 110 Pages: 33712-33712
- DOI
  10.1063/1.3614496
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] First Principles Study on Desorption of Chemisorbed Hydrogen Atoms from Singie-walled Carbon Nanotubes under External Electric Field2011
- Author(s)
  V.J.Surya, K.Iyakutti, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Int.J.Hydrogen Energy
  
  Volume: 36 Pages: 13645-13656
- DOI
  10.1016/j.ijhydene.2011.08.015
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23241027
[Journal Article] Gate-controlled Current and Inelastic Electron Tunneling Spectrum of Benzene : A Self-consistent Study2011
- Author(s)
  Y.-Y.Liang, H.Chen, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  J.Chem.Phys.
  
  Volume: 134 Pages: 144113-144113
- DOI
  10.1063/1.3571475
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Electron Transport Characteristics of Organic Molecule Encapsulated Carbon Nanotubes2011
- Author(s)
  S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  Nanoscale
  
  Volume: 3 Pages: 1773-1779
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Gate-controlled Current and Inelastic Electron Tunneling Spectrum of Benzene : A Self-consistent Study2011
- Author(s)
  Y.-Y. Liang, H. Chen, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  J. Chem. Phys
  
  Volume: 134 Pages: 144113-144113
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Rigid Adamantane Tripod Linkage for Well-defined Conductance of a Single-molecule Junction2010
- Author(s)
  S.-U.Lee, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Phys.Chem.Chem.Phys.
  
  Volume: 12 Pages: 11763-11769
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Rigid Adamantane Tripod Linkage for Well-defined Conductance of a Single-molecule Junction2010
- Author(s)
  S. U. Lee, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  Chem. Phys
  
  Volume: 12 Pages: 11763-11769
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Self-Consistent Study of Conjugated Aromatic Molecular Transistors2010
- Author(s)
  J. Wang, Y.-Y. Liang, H. Chen, P. Wang, R. Note, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  Chin. Phys. Lett
  
  Volume: 27 Pages: 67303-67303
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Electron Transport Characteristics of One-Dimensional Heterojunctions with Multi-Nitrogen-Doped Capped Carbon Nanotubes2010
- Author(s)
  S.-U.Lee, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Nanoscale
  
  Volume: 2 Pages: 2578-2764
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Electron Transport Characteristics of One-Dimensional Heterojunctions with Multi-Nitrogen-Doped Capped Carbon Nanotubes2010
- Author(s)
  S. U. Lee, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  Nanoscale
  
  Volume: 2 Pages: 2758-2764
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Electron Transport Characteristics of Organic Molecule Encapsulated Carbon Nanotubes2010
- Author(s)
  S.-U.Lee, R.V.Belosludov, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Nanoscale
  
  Volume: 3 Pages: 1773-1779
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] A Theoretical Study on the Interaction of Aromatic Amino Acids with Graphene and Single Walled Carbon Nanotube2009
- Author(s)
  C.Rajesh, C.Majumder, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  J.Chem.Phys. 130
  
  Pages: 124911-124911
- NAID
  120002338322
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Polarization Induced Switching Effect in Graphene Nanoribbon Edge-Defect Junction2009
- Author(s)
  G.Yin, Y.Y. Liang, F.Jiang, H.Chen, P.Wang, R.Note, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  J.Chem.Phys. 131
  
  Pages: 234706-234706
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Polarization Induced Switching Effect in Graphene Nanoribbon Edge-Defect Junction2009
- Author(s)
  G. Yin, Y.-Y. Liang, F. Jiang, H. Chen, P. Wang, R. Note, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  J. Chem. Phys
  
  Volume: 131 Pages: 234706-234706
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Accurate Description of Phase Diagram of Clathrate Hydrates at the Molecular Level2009
- Author(s)
  R.V.Belosludov, O.P.Subbotin, H.Mizuseki, Y.Kawazoe, V.R.Belosludov
- Journal Title
  
  J.Chem.Phys. 131
  
  Pages: 244510-244510
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19651039
[Journal Article] A Theoretical Study on the Interaction of Aromatic Amino Acids with Graphene and Single Walled Carbon Nanotube2009
- Author(s)
  C. Rajesh, C. Majumder, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  J. Chem. Phys
  
  Volume: 130 Pages: 124911-124911
- NAID
  120002338322
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Potential of AIN Nanostructures as Hydrogen Storage Materials2009
- Author(s)
  Qiang Wang, Qiang Sun, Puru Jena, Yoshiyuki Kawazoe
- Journal Title
  
  ACS Nano 3
  
  Pages: 621-626
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18310067
[Journal Article] Potential of AIN Nanostructures as Hydrogen Storage Materials2009
- Author(s)
  Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe
- Journal Title
  
  ACS Nano 3
  
  Pages: 621-6260
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18310067
[Journal Article] Designing Nanogadgetry for Nanoelectronic Devices with Nitrogen-Doped Capped Carbon Nanotubes2009
- Author(s)
  S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
- Journal Title
  
  Small
  
  Volume: 5 Pages: 1769-1775
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21310068
[Journal Article] Crystal-like low frequency phonons in the low-density amorphous and high-density amorphous ices2008
- Author(s)
  R. V. Belosludov, O. S. Subbotin, H. Mizuseki, P. M. Rodger, Y. Kawazoe and V. R. Belosludov
- Journal Title
  
  J. Chem. Phys. 129
  
  Pages: 114507-114507
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18310067
[Journal Article] Crystal-like Low Frequency Phonons in the Low-density Amorphous and High-density Amorphous Ices2008
- Author(s)
  R. V. Belosludov, O. S. Subbotin, H. Mizuseki, P. M. Rodger, Y. Kawazoe, and V. R. Belosludov
- Journal Title
  
  J. Chem. Phys 129
  
  Pages: 114507-114507
- Data Source
  KAKENHI-PROJECT-19651039
[Journal Article] Modeling the self-preservation effect in Gas hydrate/Ice systems, materials Transactions2007
- Author(s)
  Subbotin O.S., Belosludov V.R., Ikeshoji T, Brodskaya E.N., Piotrovskaya E.M., Sizov V., Belosludov R.V., Kawazoe Y.
- Journal Title
  
  48
  
  Pages: 2114-2118
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18310067
[Journal Article] Physical and Chemical properties of Gas Hydrates : Theoretical Aspects of Energy Storage Application2007
- Author(s)
  BELOSLUDOV ladimir R., SUBBOTIN Oleg S., KRUPSKII Dmitrii S., BELOSLUDOV Rodion V., KAWAZOE Yoshiyuki, KUDOH Jun-Ichi
- Journal Title
  
  Materials Transactions 48
  
  Pages: 704-710
- NAID
  130004453533
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18310067
[Journal Article] Origin of temperature dependence of the electric dipole moment in Niobium clusters2006
- Author(s)
  Y.Kawazoe, et al.
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 12541801-12541814
- NAID
  120003780900
- Data Source
  KAKENHI-PROJECT-16204019
[Journal Article] Low-frequency Vibrations of Crystalline alpha, alpha-trehalose Dihydrate2006
- Author(s)
  M.Takahashi, Y.Kawazoe, Y.Ishikawa, H.Ito
- Journal Title
  
  Chem.Phys.Lett. 429
  
  Pages: 371-377
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Ab initio Quantum Chemical Investigation of Several Isomers of Anionic Si_62006
- Author(s)
  M.Takahashi, Y.Kawazoe
- Journal Title
  
  Chem. Phys. Lett. 418
  
  Pages: 475-480
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Excited State Properties and Quadratic Optical Nonlinearities in Charged Organic Chromophores : Theoretical Analysis2006
- Author(s)
  T.M.Inerbaev, S.Saito, R.V.Belosludov, H.Mizuseki, M.Takahashi, Y.Kawazoe
- Journal Title
  
  J.Chem.Phys. 125
  
  Pages: 234702-234702
- NAID
  120002338314
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Ab initio quantum chemical investigation of several isomers of Si62006
- Author(s)
  Y.Kawazoe, et al.
- Journal Title
  
  Chem. Phys. Lett. 418
  
  Pages: 475-480
- Data Source
  KAKENHI-PROJECT-16204019
[Journal Article] First Excited State Properties and Static Hyperpolarizability of Ruthenium(II) Ammine Complexes2006
- Author(s)
  T.M.Inerbaev, R.V.Belosludov, H.Mizuseki, M.Takahashi, Y.Kawazoe
- Journal Title
  
  J. Chem. Theory and Comput. 2
  
  Pages: 1325-1334
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] First Excited State Properties and Static Hyperpolarizability of Ruthenium(II) Ammine Complexes2006
- Author(s)
  T.M.Inerbaev, R.V.Belosludov, H.Mizuseki, M.Takahashi, Y.Kawazoe
- Journal Title
  
  J.Chem.Theory and Comput. 2
  
  Pages: 1325-1334
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Theoretical Proposal of Planar Silicon Oligomer and Silicon Benzene2006
- Author(s)
  M.Takahashi, Y.Kawazoe
- Journal Title
  
  Comput.Mater.Sci. 36
  
  Pages: 30-35
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Theoretical Investigation of Stable Structures of Ge_6 Clusters with Various Negative Charges2006
- Author(s)
  H.Kikuchi, M.Takahashi, Y.Kawazoe
- Journal Title
  
  Mater. Trans. 47
  
  Pages: 2624-2628
- NAID
  10019485225
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Excited State Properties and Quadratic Optical Nonlinearities in Charged Organic Chromophores : Theoretical Analysis2006
- Author(s)
  T.M.Inerbaev, S.Saito, R.V.Belosludov, H.Mizuseki, M.Takahashi, Y.Kawazoe
- Journal Title
  
  J. Chem. Phys 125
  
  Pages: 234702-234702
- NAID
  120002338314
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Theoretical Proposal of Planar Silicon Oligomer and Silicon Benzene2006
- Author(s)
  M.Takahashi, Y.Kawazoe
- Journal Title
  
  Comput. Mater. Sci. 36
  
  Pages: 30-35
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Theoretical Investigation of Stable Structures of Ge6 Clusters with Various Negative Charges2006
- Author(s)
  H.Kikuchi, M.Takahashi, Y.Kawazoe
- Journal Title
  
  Mater.Trans. 47
  
  Pages: 2624-2628
- NAID
  130004452946
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Ab initio Quantum Chemical Investigation of Several Isomers of Anionic Sis2006
- Author(s)
  M.Takahashi, Y.Kawazoe
- Journal Title
  
  Chem.Phys.Lett. 418
  
  Pages: 475-480
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Low-frequency Vibrations of Crystalline alpha,alpha-trehalose Dihydrate2006
- Author(s)
  M.Takahashi, Y.Kawazoe, Y.Ishikawa, H.Ito
- Journal Title
  
  Chem. Phys. Lett 429
  
  Pages: 371-377
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Ab initio calculation of the stability of a vacancy in Na clusters and correlation with melting2006
- Author(s)
  Y.Kawazoe, et al.
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 1254101-1254106
- NAID
  120003780785
- Data Source
  KAKENHI-PROJECT-16204019
[Journal Article] Atomic and Electronic Structures of Neutral and Cation Snn (n=2-20) Clusters : A Comparative Theoretical Study with Different Exchange-correlation Functionals2005
- Author(s)
  C.Majumder, V.Kumar, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Phys.Rev.B 71
  
  Pages: 35401-35401
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Theoretical study on planar anionic polysilicon chains and cyclic Sis anions with D6h symmetry2005
- Author(s)
  M.Takahashi, Y.Kawazoe
- Journal Title
  
  Organometallics 24
  
  Pages: 2433-2440
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Theoretical study on planar anionic polysilicon chains and cyclic Si_6 anions with D_<6h> symmetry2005
- Author(s)
  M.Takahashi, Y.Kawazoe
- Journal Title
  
  Organometallics 24
  
  Pages: 2433-2440
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] IT技術者養成向け日本語教育Webコースウェア2005
- Author(s)
  井口寧, 高橋亜紀子, 小河原義朗, 才田いずみ, 堀井洋, 川添良幸
- Journal Title
  
  2005年度電気関連学会北陸支部連合大会 E-12(1page in CD-ROM)
- Data Source
  KAKENHI-PROJECT-17650071
[Journal Article] システム・エンジニア向け日本語学習コースウェアの開発2005
- Author(s)
  高橋亜紀子, 小河原義朗, 才田いずみ, 井口寧, 堀井洋, 川添良幸
- Journal Title
  
  日本語教育方法研究会誌 Vol.12 No.2
  
  Pages: 24-25
- NAID
  110009497034
- Data Source
  KAKENHI-PROJECT-17650071
[Journal Article] e-Learning Courseware for System Engineers Learning Japanese (日本語のできるSE養成を目指す遠隔日本語教育コースウェア)2005
- Author(s)
  Yoshiro Ogawara, Izumi Saita, Akiko Takahashi, Yasushi Inoguchi, Hiroshi Horii, Yoshiyuki Kawazoe
- Journal Title
  
  Japanese Studies Association of Australia Conference
  
  Pages: 53-53
- Data Source
  KAKENHI-PROJECT-17650071
[Journal Article] Atomic and Electronic Structures of Neutral and Cation Sn_n (n=2-20) Clusters : A Comparative Theoretical Study with Different Exchange-correlation Functionals2005
- Author(s)
  C.Majumder, V.Kumar, H.Mizuseki, Y.Kawazoe
- Journal Title
  
  Phys. Rev. B 71
  
  Pages: 35401-35401
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Exohedral Functionalization of the Icosahedral Cluster Si_<20> H_<20> : a Density Functional Theory Study2004
- Author(s)
  Fabio Pichierri, Vijay Kumar, Yoshiyuki Kawazoe
- Journal Title
  
  Chem.Phys.Lett 383
  
  Pages: 544-548
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15510086
[Journal Article] First-principles Study on the Electronic Structures of Icosahedral Ti_N (N = 13, 19, 43, 55) Clusters2004
- Author(s)
  S.-Y.Wang, J.-Z.Yu, H.Mizuseki, J.-A.Yan, Y.Kawazoe, C.-Y.Wang
- Journal Title
  
  J. Chem. Phys. 120
  
  Pages: 8463-8468
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Exohedral Functionalization of the Icosahedral Cluster Si_<20>H_<20> : a Density Functional Theory Study2004
- Author(s)
  Fabio Pichierri, Vijay Kumar, Yoshiyuki Kawazoe
- Journal Title
  
  Chem.Phys.Lett 383
  
  Pages: 544-548
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15510086
[Journal Article] First-principles Study on the Electronic Structures of Icosahedral TiN (N=13,19,43,55) Clusters2004
- Author(s)
  S.-Y.Wang, J.-Z.Yu, H.Mizuseki, J.-A.Yan, Y.Kawazoe, C.-Y.Wang
- Journal Title
  
  J.Chem.Phys. 120
  
  Pages: 8463-8468
- NAID
  120002338309
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Energetics and Local Spin Magnetic Moment of Single 3,4d Impurities Encapsulated in an Icosahedral Au_<12> Cage2004
- Author(s)
  S.-Y.Wang, J.-Z.Yu, H.Mizuseki, Q.Sun, C.-Y.Wang, Y.Kawazoe
- Journal Title
  
  Phys. Rev. B 70
  
  Pages: 165413-165413
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Energetics and Local Spin Magnetic Moment of Single 3,4d Impurities Encapsulated in an Icosahedral AU12 Cage2004
- Author(s)
  S.-Y.Wang, J.-Z.Yu, H.Mizuseki, Q.Sun, C.-Y.Wang, Y.Kawazoe
- Journal Title
  
  Phys.Rev.B 70
  
  Pages: 165413-165413
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310080
[Journal Article] Dielectric Function of (CdSe)_<13> Clusters2004
- Author(s)
  Y.Noguchi, K.Ohno., V.Kumar, Y.Kawazoe, Y.Barnakov, A.Kasuuya
- Journal Title
  
  Transactions of the Materials Research society of Japan 29
  
  Pages: 3723-3725
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16204019
[Journal Article] Interaction of Magic Gold Cluster with Si_<60> Cage2004
- Author(s)
  Q.Sun, Q.Wang, Y.Kawazoe, P.Jena
- Journal Title
  
  Eur.Phys. 29
  
  Pages: 231-234
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15510086
[Journal Article] Theoretical Study of Clathrate Hydrates with Multiple Occupation2004
- Author(s)
  Talgat M.Inerbaev, Y.Kawazoe
- Journal Title
  
  J.Inclusion Phenomena and Macrocyclic Chemistry 48
  
  Pages: 55-60
- Data Source
  KAKENHI-PROJECT-13NP0201
[Journal Article] Growth and Magic Behavior of Metal Encapsulated Silicon Clusters2004
- Author(s)
  Hiroaki Kawamura, Vijay Kumar, Yoshiyuki Kawazoe
- Journal Title
  
  Materials Transactions 45
  
  Pages: 1429-1432
- NAID
  80016707187
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15510086
[Journal Article] Water Adsorption on Ti-doped Silicon Clusters2004
- Author(s)
  Hiroaki Kawamura, Vijay Kumar, Yoshiyuki Kawazoe
- Journal Title
  
  Phys.Rev.B. 70
  
  Pages: 1934021-1934024
- NAID
  120003780733
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15510086
[Journal Article] Smallest Magic Caged Clusters of Si, Ge, Sn and Pb by Encapsulation of Transition Metal Atom2004
- Author(s)
  Vijay Kumar, Abhishek Kumar Singh, Yoshiyuki Kawazoe
- Journal Title
  
  Nano Letters 4
  
  Pages: 677-681
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15510086
[Journal Article] Dielectric function of (CdSe)13 clusters2004
- Author(s)
  Y.Noguchi, K.Ohno, V.Kumar, Y.Kawazoe, Y.Bamakov, A.Kasuya
- Journal Title
  
  Transactions of the Materials Research society of Japan 29
  
  Pages: 3723-3725
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16204019
[Journal Article] Dynamics and equation of state of hydrogen clathrate hydrate as a function of cage occupation
- Author(s)
  T.M.Inerbaev, Y.Kawazoe
- Journal Title
  
  Computational Materials Science (発表予定)
- Data Source
  KAKENHI-PROJECT-13NP0201
[Journal Article] Theoretical study of polarons and self-trapped excited states in one-dimensional C60 crystal
- Author(s)
  V.R.Belosludov, Y.Kawazoe
- Journal Title
  
  Computational Materials Science (発表予定)
- Data Source
  KAKENHI-PROJECT-13NP0201
[Presentation] How to Realize True and Reliable Ab initio Simulation for Materials Design Fundamentally Better than Present Day Standard2019
- Author(s)
  Yoshiyuki Kawazoe
- Organizer
  ACCMS-10, HongKong
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] ドープした炭素ナノ構造体中のポーラロン2019
- Author(s)
  川添良幸
- Organizer
  ナノ学会、鹿児島
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database2019
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  ICONN, SRMIST Chennai, India
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database　- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications2018
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  Workshop for Computational Materials Science, Institute of Physics, Chinese Academy of Sciences, Beijing, China
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database　- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications -2018
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  Japan-China Symposium、Nagoya University
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] マテリアルズ・インフォマティクスを有用な材料設計開発ツールとするために必要な信頼性のあるデータベース構築2018
- Author(s)
  川添良幸
- Organizer
  ナノ学会、東京大学本郷キャンパス
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database　- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications -2018
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  Nano-Korea, Satellite Workshop、KINTEC, Korea
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] 金属原子で置換したビーライトの水分子吸着特性2018
- Author(s)
  桜田良治，鵜澤正美，細川佳史，川添良幸，Abhishek Kumar
- Organizer
  平成29年度土木学会東北支部技術研究発表会講演概要集
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] 未知の物質を見つける　─スパコンで構造や特性を推定　─2018
- Author(s)
  川添良幸
- Organizer
  中部大学学術支援室・特別講演会
- Invited
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database　- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications -2018
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  LSC, OPICON2018, Pacifico-Yokohama
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database　- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications -2018
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  INOMAR, HCM City, VietNam
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on the Reliable Materials Database　- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications -2018
- Author(s)
  Yoshiyuki KAWAZOE
- Organizer
  IUMRS-ICEA, Daejeon, Korea.
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Materials Informatics based on Reliable Materials Database- How to Evaluate and Certify the Reliability of Materials Data for Materials Informatics in Industrial Applications -2018
- Author(s)
  川添良幸
- Organizer
  JAIST-ISM-KISTワークショップ
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] ペンタグラフェン - A new Carbon Allotropes Predicted by Geometrical Survey with ab-initio Simulations and Expected as Functional Materials - Penta-graphene -2017
- Author(s)
  川添良幸
- Organizer
  ナノ学会
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] ペンタグラフェン2017
- Author(s)
  川添良幸
- Organizer
  放射光とレーザーの連携シンポジウム
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Penta-graphene ? Recent Progress2017
- Author(s)
  川添良幸
- Organizer
  ICAE2017, Jeju Island, Korea
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] What is ab initio computer simulation for materials design2017
- Author(s)
  川添良幸
- Organizer
  ACCMS-9, TOMBO tutorial, Kuala Lumpur, Malaysia
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] ビーライト表面への水分子吸着の第一原理計算2017
- Author(s)
  桜田良治，鵜澤正美，細川佳史，川添良幸，Abhishek Kumar
- Organizer
  平成28年度土木学会東北支部技術研究発表会講演概要集
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] ビーライト表面への水分子吸着の第一原理計算2017
- Author(s)
  桜田良治，川添良幸，鵜澤正美，細川佳史，Abhishek Kumar Singh
- Organizer
  (社)土木学会東北支部技術研究発表会講演概要
- Place of Presentation
  東北工業大学
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] What is real ab initio simulation for materials design? - with predictable power -2017
- Author(s)
  川添良幸
- Organizer
  The first MRS Thailand International Conference, Chiang Mai, Thailand
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H03384
[Presentation] Water Adsorption on Dicalcium Silicate Surface Doped with A Trace Element2017
- Author(s)
  Ryoji Sakurada, Masami Uzawa, Yoshifumi Hosokawa, Yoshiyuki Kawazoe, and Abhishek Kumar Singh
- Organizer
  42nd Conference on Our World in Concrete & Structures
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] 第一原理計算によるビーライトの水和活性評価の検討2017
- Author(s)
  細川佳史，桜田良治，川添良幸，鵜澤正美，Aaditya Manjanath, and Abhishek Kumar Singh
- Organizer
  無機マテリアル学会第134回学術講演会講演概要
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] Adsorption Property of Water Molecule on Belite Surface2016
- Author(s)
  Ryoji Sakurada, Masami Uzawa, Yoshifumi Hosokawa, Yoshiyuki Kawazoe, Aaditya Manjanath, and Abhishek Kumar Singh
- Organizer
  The 11th General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization
- Place of Presentation
  東北大学片平キャンパスさくらホール
- Year and Date
  2016-12-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] 第一原理計算によるBa で置換したビーライトの構造特性の解析2016
- Author(s)
  桜田良治，川添良幸，鵜沢正美，細川佳史，Abhishek Kumar Singh
- Organizer
  土木学会東北支部技術研究発表会
- Place of Presentation
  岩手大学上田キャンパス
- Year and Date
  2016-03-05
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] Structural Properties of Belite Doped by Two Kinds of Trace Impurities2016
- Author(s)
  Ryoji Sakurada, Masami Uzawa, Yoshifumi Hosokawa, Yoshiyuki Kawazoe, and Abhishek Kumar Singh
- Organizer
  41st Conference on Our World in Concrete and Structures
- Place of Presentation
  Singapore
- Year and Date
  2016-08-25
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] Adsorption of Water Molecule on Beta-Form Belite Surface: Analysis Based on Ab-Initio Study2015
- Author(s)
  Ryoji Sakurada, Masami Uzawa, Yoshifumi Hosokawa, Yoshiyuki Kawazoe, Aaditya Manjanath, and Abhishek Kumar Singh
- Organizer
  The 10th General Meeting of Asian Consortium Computational Materials Science-Virtual Organization
- Place of Presentation
  東北大学片平キャンパスさくらホール
- Year and Date
  2015-11-01
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] 第一原理計算によるセメントクリンカーの結晶構造解析2015
- Author(s)
  桜田良治，鵜沢正美，細川佳史，川添良幸，Abhishek Kumar Singh
- Organizer
  ナノ学会13 回大会
- Place of Presentation
  東北大学片平キャンパスさくらホール
- Year and Date
  2015-05-11
- Data Source
  KAKENHI-PROJECT-15K04631
[Presentation] What can we simulate by TOMBO The 4th International Workshop on Nanotechnology and application2013
- Author(s)
  川添良幸
- Organizer
  IWNA2013
- Place of Presentation
  Rex Hotel, Vung tau city, Vietnam
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] “Theoretical Modeling of the Phase Diagram of Hydrogen Clathrate Hydrate in Wide Pressure Range”2013
- Author(s)
  Ravil Zhdanov, Oleg Subbotin, Vladimir Belosludov, Rodion Belosludov and Yoshiyuki Kawazoe,
- Organizer
  The Eighth General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (8thACCMS-VO)
- Place of Presentation
  Tohoku University,Sendai,Japan
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] “Formalism for Calculation Van der Waals Dispersion Coefficients within the All-electron Mixed-basis Approach”2013
- Author(s)
  V. R. Belosludov O. S. Subbotin, R. V. Belosludov, H. Mizuseki and Y. Kawazoe,
- Organizer
  The Eighth General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (8thACCMS-VO)
- Place of Presentation
  Tohoku University,Sendai,Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] “Role of Transition Metal in Catalyzing H2 Splitting”2013
- Author(s)
  G. Chen and Y. Kawazoe,
- Organizer
  The Eighth General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (8thACCMS-VO)
- Place of Presentation
  Tohoku University,Sendai,Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] “Development of the All-electron Mixed Basis Program, TOMBO”2013
- Author(s)
  Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe,
- Organizer
  The Eighth General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (8thACCMS-VO)
- Place of Presentation
  Tohoku University,Sendai,Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] “TOMBO, an All-electron Mixed Basis Program”2013
- Author(s)
  Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe
- Organizer
  International Union of Materials Research Society International Conference in Asia 2013 IUMRS-ICA
- Place of Presentation
  Tohoku University,Sendai,Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] 真の第一原理計算による基礎物理理解と応用展開2013
- Author(s)
  川添良幸
- Organizer
  電気学会
- Place of Presentation
  豊田工業大学
- Year and Date
  2013-05-16
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] What can we simulate by TOMBO2013
- Author(s)
  川添良幸
- Organizer
  THE 4th INTERNATIONAL WORKSHOP ON NANOTECHNOLOGY AND APPLICATION (IWNA 2013)
- Place of Presentation
  Rex Hotel, Vung Tau city, Vietnam
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] “Hydrogen Storage in Ni+MgH2 and Ti+MgH2 clusters - A First Principles Study”2013
- Author(s)
  K. Iyakutti, R. Lavanya, V. Vasu, V.J. Surya and Y. Kawazoe,
- Organizer
  The Eighth General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (8thACCMS-VO)
- Place of Presentation
  Tohoku University,Sendai,Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] Introduction of TOMBO ~ Development of hydrogen storage materials ~2013
- Author(s)
  R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  Working Group Meeting of Asian Consortium on Computational Materials Science
- Place of Presentation
  National Taiwan University of Science and Technology
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] 計算科学の実態と将来像2013
- Author(s)
  川添良幸
- Organizer
  TOMBO 講習会
- Place of Presentation
  東北大学東京分室
- Year and Date
  2013-07-05
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] “Higher Level of Ab Initio Computer Simulation for Materials Design : How to Perform Theoretical Design of Materials”2013
- Author(s)
  Yoshiyuki Kawazoe
- Organizer
  International Symposium on Nanostructures and Their Applications in Renewable Energy (ISNARE-2013)
- Place of Presentation
  Peking University,Beijing,China
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] “Modeling on Adsorption Properties in Novel Hydrogen Storage Materials”2013
- Author(s)
  H. Mizuseki and Y. Kawazoe
- Organizer
  International Symposium on Nanostructures and Their Applications in Renewable Energy (ISNARE-2013)
- Place of Presentation
  Peking University,Beijing,China
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] Introduction of TOMBO2013
- Author(s)
  川添良幸
- Organizer
  ACCMS-7/TOMBO Seminar
- Place of Presentation
  Suranaree University of Tecjnology, Thailand
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] Introduction of TOMBO2013
- Author(s)
  川添良幸
- Organizer
  TOMBO20 周年記念講演会
- Place of Presentation
  東北大学片平北門会館2F 社会連携スペース
- Year and Date
  2013-08-21
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] First-principles Analysis of Hydrogen Storage Properties of Alkali-Doped Organic Materials2013
- Author(s)
  H. Mizuseki and Y. Kawazoe
- Organizer
  Asian Consortium on Computational Materials Science - Working Group Meeting on Computational Design of Materials for Energy Conversion and Storage
- Place of Presentation
  NTUST,Taipei, Taiwan
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] TOMBO, an All-electron Mixed Basis Program IUMRS ICA 20132013
- Author(s)
  Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe
- Organizer
  National Science Centre Complex
- Place of Presentation
  Bangalore, India
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] Introduction of TOMBO2013
- Author(s)
  川添良幸
- Organizer
  ACCMS-7 / TOMBO Seminar
- Place of Presentation
  Suranaree University of Technology,Thailand
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] TOMBO, an All-electron Mixed Basis Program2013
- Author(s)
  Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe
- Organizer
  IUMRS ICA 2013
- Place of Presentation
  Natioal Science Seminar Complex, Bangalore, India
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] Effect of a nickel cluster on the dissociation process of hydrogen molecule2012
- Author(s)
  R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  International Symposium on Metal-Hydrogen Systems
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] Introduction of TOMBO2012
- Author(s)
  R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  Asian Consortium on Computational Materials Science-Virtual Organization
- Place of Presentation
  東北大金研
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料開発2012
- Author(s)
  佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
- Organizer
  平成24年度　計算材料科学研究拠点(CMRI)　第一回シンポジウム
- Place of Presentation
  東北大金研
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] Development of all-electron mixed-basis ab initio program TOMBO and application for developing hydrogen storage materials2012
- Author(s)
  R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  244th ACS National Meeting & Exposition
- Place of Presentation
  Philadelphia
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料の開発2012
- Author(s)
  佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
- Organizer
  金属学会秋期大会
- Place of Presentation
  愛媛大学
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] 全電子混合基底法プログラムTOMBOによる水素分子の解離におけるニッケルダイマーの効果2012
- Author(s)
  佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
- Organizer
  日本金属学会2012年春期大会
- Place of Presentation
  横浜国立大学
- Year and Date
  2012-03-29
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] 新規水素貯蔵材料のシミュレーション探索研究2011
- Author(s)
  水関博志、N.S.Venkataramanan、R.V.Belosludov、佐原亮二、陳剛、M.Khazaei、川添良幸
- Organizer
  日本金属学会2011年秋期大会
- Place of Presentation
  沖縄コンベンションセンター
- Year and Date
  2011-11-08
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] 第一原理計算によるアルカリ金属をドープした新規水素貯蔵材料の評価2011
- Author(s)
  水関博志、N.S.Venkataramanan、陳剛、佐原亮二、川添良幸
- Organizer
  ナノ学会第9回大会
- Place of Presentation
  北海道大学学術交流会館
- Year and Date
  2011-06-02
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] First-Principles Calculations on Hydrogen Storage Capacity2011
- Author(s)
  H.Mizuseki, N.S.Venkataramanan, R.Sahara, Y.Kawazoe
- Organizer
  MRS Spring 2011
- Place of Presentation
  West convention Center San Francisco, USA
- Year and Date
  2011-04-28
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] First-Principles Calculations on Transport Properties of Nanoscale Molecular Wires2011
- Author(s)
  H. Mizuseki, S. U. Lee, R. V. Belosludov, and Y. Kawazoe
- Organizer
  MRS Fall 2011
- Place of Presentation
  Boston, MA, U. S. A.
- Year and Date
  2011-11-28
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Theoretical Modeling of Phase Diagram of Clathrate Hydrates toward Hydrogen Storage Applications2011
- Author(s)
  R.V.Belosludov, H.Mizuseki, O.S.Subbotin, V.R.Belosludov, Y.Kawazoe
- Organizer
  TechConnect World 2011 (Clean Technology) Conference & Expo 2011
- Place of Presentation
  Boston, USA
- Year and Date
  2011-06-14
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] First-principles Study on Transport Properties of Nanoscale Conjugated Molecules2011
- Author(s)
  H.Mizuseki, Y.Kawazoe
- Organizer
  Asian Consortium on Computational Materials Science-Third Working Group Meeting (ACCMS-WGM3) on "Advances in Nano-device Simulation"
- Place of Presentation
  Jeju, Korea(Invited Talk)
- Year and Date
  2011-03-31
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] First Principles Investigation on Potential Hydrogen Storage Materials2011
- Author(s)
  H.Mizuseki, Y.Kawazoe
- Organizer
  The 6th Asian Consortium on Computational Materials Science (ACCMS-6)
- Place of Presentation
  National University of Singapore (NUS)シンガポール
- Year and Date
  2011-09-07
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] Theoretical Study of Hydrogen Storage Materials using All-electron Mixed-basis Program TOMBO2011
- Author(s)
  R.Sahara, H.Mizuseki, M.H.E.Sluiter, K.Ohno, Y.Kawazoe
- Organizer
  The 6th Asian Consortium on Computational Materials Science (ACCMS-6)
- Place of Presentation
  National University of Singapore (NUS)シンガポール
- Year and Date
  2011-09-09
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] First-principles Study on Transport Properties of Nanoscale Conjugated Molecules2011
- Author(s)
  H. Mizuseki and Y. Kawazoe (Invited)
- Organizer
  Asian Consortium on Computational Materials Science-Third Working Group Meeting
- Place of Presentation
  Jeju, Korea
- Year and Date
  2011-04-01
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] First-Principles Calculations on Transport Properties of Kanoscale Molecular Wires2011
- Author(s)
  H.Mizuseki, S.V.Lee, R.V.Belosludov, Y.Kawazoe
- Organizer
  MRS Fall 2011
- Place of Presentation
  Boston, MA, U.S.A.
- Year and Date
  2011-12-01
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Quantum Transport of Nanoscale Materials by using Ab Initio Calculations and Nonequilibrium Green's Function Formalism2010
- Author(s)
  H.Mizuseki, Y.Kawazoe
- Organizer
  Pacifichem2010
- Place of Presentation
  Honolulu, Hawaii, U.S.A
- Year and Date
  2010-12-16
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Quantum Conductance of Atomic and Molecular Bridges by Using First-principles Calculations and Nonequilibrium Green's Function Formalism2010
- Author(s)
  H. Mizuseki, S. U. Lee, R. V. Belosludov, and Y. Kawazoe
- Organizer
  MRS Fall 2010
- Place of Presentation
  Boston, MA, U. S. A.
- Year and Date
  2010-12-01
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Transport Properties of Molecular Wires by using First-principles Calculations and Nonequilibrium Green's Function Formalism2010
- Author(s)
  H.Mizuseki, S.-U.Lee, R.V.Belosludov, Y.Kawazoe
- Organizer
  MRS Spring meeting 2010
- Place of Presentation
  San Francisco, California USA
- Year and Date
  2010-04-06
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Quantum Transport of Nanoscale Materials by using Ab Initio Calculations and Nonequilibrium Green's Function Formalism2010
- Author(s)
  H. Mizuseki and Y. Kawazoe
- Organizer
  Pacifichem2010
- Place of Presentation
  Honolulu, Hawaii, U. S. A.
- Year and Date
  2010-12-15
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Transport Properties of Molecular Wires by using First-principles Calculations and Nonequilibrium Green's Function Formalism2010
- Author(s)
  H.Mizuseki, Y.Kawazoe
- Organizer
  MRS Workshop Nanocontacts and Nanointerconnects
- Place of Presentation
  San Francisco, California USA
- Year and Date
  2010-04-05
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Transport Properties of Molecular Wires by using First-principles Calculations and Nonequilibrium Green's Function Formalism2010
- Author(s)
  H. Mizuseki, S. U. Lee, R. V. Belosludov, and Y. Kawazoe
- Organizer
  MRS Spring 2010
- Place of Presentation
  San Francisco, California
- Year and Date
  2010-04-07
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Transport Properties of Nanostructures by using First-principles Calculations and Nonequilibrium Green's function Formalism2010
- Author(s)
  H. Mizuseki, S. U. Lee, R. V. Belosludov, H. Chen, and Y. Kawazoe
- Organizer
  Psi_k-2010 conference
- Place of Presentation
  Berlin, Germany
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21310068
[Presentation] Theoretical Prediction of Clean Nanoscale Materials saving Energy2009
- Author(s)
  川添良幸
- Organizer
  ICASM 2009
- Place of Presentation
  インド・マデュライ
- Year and Date
  2009-01-08
- Data Source
  KAKENHI-PROJECT-18310067
[Presentation] Theoretical Prediction of Clean Nanoscale Materials Saving Energy2009
- Author(s)
  川添良幸
- Organizer
  ICASM2009
- Place of Presentation
  インド・マデュライ
- Year and Date
  2009-01-08
- Data Source
  KAKENHI-PROJECT-18310067
[Presentation] New Reliable Methods of Computational Materials Science as Future Standard
- Author(s)
  Yoshiyuki Kawazoe
- Organizer
  IWAMSN（7th International Workshop on Advanced Materials Science and Nanotechnology）
- Place of Presentation
  Grrand Ha Long Hotel, Hanoi, Vietnam
- Year and Date
  2014-11-03 – 2014-11-05
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] 計算科学の実態と将来像
- Author(s)
  川添良幸
- Organizer
  TOMBO講習会
- Place of Presentation
  東北大学東京分室
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料設計
- Author(s)
  佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
- Organizer
  ナノ学会第11回大会
- Place of Presentation
  東京工業大学
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料開発
- Author(s)
  佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
- Organizer
  ナノ学会第13回大会
- Place of Presentation
  東北大学
- Year and Date
  2015-05-11 – 2015-05-13
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] Development of hydrogen storage materials using TOMBO
- Author(s)
  R. Sahara, H. Mizuseki, Marcel H. F. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  The 7th conference of the Asian Consortium on Computational Materials Science
- Place of Presentation
  タイ
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] Development of hydrogen storage materials using all electron mixed basis program TOMBO
- Author(s)
  R. Sahara, H. Mizuseki, Marcel H. F. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  International Conference on Materials Engineering for Resources
- Place of Presentation
  秋田
- Invited
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] Modeling of the Hydrogen Hydrates Phase Diagram in Wide Pressure Range
- Author(s)
  Ravil Zhdanov, Oleg Subbotin, Vladimir Belosludov, Rodion Belosludov and Yoshiyuki Kawazoe
- Organizer
  The8th International Conference on Gas Hydrates (ICGH8)
- Place of Presentation
  China National Convention Centre, China
- Year and Date
  2014-07-28 – 2014-08-01
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] New Energy Harvesting Materials Search by Computer Simulation
- Author(s)
  Yoshiyuki Kawazoe
- Organizer
  ICCP9(The 9th International Conference on Computational Physics)
- Place of Presentation
  National University of Singapore
- Year and Date
  2015-01-07 – 2015-01-11
- Invited
- Data Source
  KAKENHI-PROJECT-23241027
[Presentation] Effect of a nickel dimer on the dissociation dynamics of a hydrogen molecule
- Author(s)
  R. Sahara, H. Mizuseki, Marcel H. F. Sluiter, K. Ohno, and Y. Kawazoe
- Organizer
  20th Anniversary of TOMBO and Russian Megagrant Opening International Conference
- Place of Presentation
  東北大学
- Invited
- Data Source
  KAKENHI-PROJECT-24560813
[Presentation] Introduction of TOMBO
- Author(s)
  川添良幸
- Organizer
  TOMBO20周年記念講演会
- Place of Presentation
  東北大学片平北門会館2F社会連携スペース
- Invited
- Data Source
  KAKENHI-PROJECT-24656398
[Presentation] Reliable Computer Simulation to Predict Efficient Clean Hydrogen Storage Materials
- Author(s)
  Yoshiyuki Kawazoe
- Organizer
  "Science of the Future" in St. Petersburg
- Place of Presentation
  Saint Petersburg State University
- Year and Date
  2014-09-17 – 2014-09-20
- Invited
- Data Source
  KAKENHI-PROJECT-23241027

1. SAITA Izumi (20186919)

# of Collaborated Projects: 13 results

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kawazoe yoshiyuki 川添 良幸

KAWAZOE Yoshiyuki 川添 良幸

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Penta-graphene: Development and Creation of FunctionsPrincipal Investigator

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Theoretical design of thermal condutive- and thermoelectric- devices by all electron mixed basis ab initio calculatioPrincipal Investigator

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Ultra high-performance and -reliablity design of metal-organic materials for high-density hydrogen storagePrincipal Investigator

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Theoretical Design of Nanoporous Materials for Hydrogen Storage MaterialsPrincipal Investigator

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kawazoe yoshiyuki 川添良幸

KAWAZOE Yoshiyuki 川添良幸