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TATEYAMA Yoshitaka  館山 佳尚

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TATEYAMA yoshitaka  館山 佳尚

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Researcher Number 70354149
Other IDs
Affiliation (Current) 2025: 東京科学大学, 総合研究院, 教授
2025: 早稲田大学, 理工学術院, 客員教授
Affiliation (based on the past Project Information) *help 2023: 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究センター, センター長
2019 – 2023: 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究拠点, グループリーダー
2021: 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究拠点, 副拠点長
2019: 物質・材料研究機構, エネルギー・環境材料研究拠点, グループリーダー
2016 – 2017: 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究拠点, グループリーダー … More
2015 – 2016: 国立研究法人物質・材料研究機構, エネルギー・環境材料研究拠点 界面計算科学, グループリーダー
2015: 国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, グループリーダー
2014: 物質・材料研究機構, MANA独立研究者
2014: 独立行政法人物質, 材料研究機構・国際ナノアーキテクトニクス研究拠点, グループリーダー
2013: 独立行政法人物質・材料研究機構, その他部局等, その他
2013: 独立行政法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, グループリーダー
2012: 独立行政法人物質・材料研究機構, その他部局等, 研究員
2011: 独立行政法人物質・材料研究機構, ナノシステム構築ユニット, グループリーダー
2009 – 2010: National Institute for Materials Science, 国際ナノアーキテクトニクス研究拠点, MANA独立研究者
2009: 物質材料研究機構, その他・研究員
2008: 独立行政法人物質・材料研究機構, MANA, 若手独立研究者
2007 – 2008: 独立行政法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, 独立研究者
2007: 材料研究機構, 研究員
2006: 独立行政法人物質・材料研究機構, 計算科学センター, 主任研究員
2005: 独立行政法人物質・材料研究機構, 計算材料科学研究センター, 主任研究員 Less
Review Section/Research Field
Principal Investigator
Condensed matter physics I / Science and Engineering / Mathematical physics/Fundamental condensed matter physics
Except Principal Investigator
Science and Engineering / Nanomaterials/Nanobioscience / Engineering / Science and Engineering / Physical chemistry / Condensed matter physics I / Science and Engineering
Keywords
Principal Investigator
計算物理 / 化学物理 / 触媒・化学プロセス / 表面・界面物性 / 物性基礎論 / 半導体物理 / 全固体電池 / インフォマティクス / 二次電池 / データ駆動型AI解析 … More / 計測インフォマティクス / 分子動力学計算 / 連続体計算 / 第一原理計算 / 電気化学 / 拡散 / イオニクス / 触媒 / 表面界面物性 / 光解離 / 円錐交差 / 電荷移動励起 / 光励起 / 光化学反応 / 非断熱遷移 / 光励起ダイナミクス / 光吸収 / 線形応答 / 時間発展 / 時間依存密度汎関数理論 … More
Except Principal Investigator
第一原理計算 / 界面 / 計算・データ科学 / 高度計測 / Interface Ionics / イオニクスデバイス / 蓄電固体デバイス / 全固体電池 / 固体イオニクス / 導電性高分子 / 分子素子 / ナノデバイス / 走査プローブ顕微鏡 / ナノ材料 / ドライルーム / 電解質 / 常温溶解塩 / 高電圧 / 水溶液 / リチウムイオン電池 / 誘電率 / 層状化合物 / キャパシタ / 格子欠陥 / 軟X線分光 / 電気化学 / 孤立電子軌道 / 孤立分子 / ハイドレートメルト / 水 / 分子動力学計算 / 第1原理計算 / 電解液 / 酸化還元 / 電極 / 電池 / 発光分光 / 電子状態 / 非断熱効果 / 軟X線ラマン散乱 / 軟X線発光分光 / 断熱近似 / 水素 / 分子動力学法 / モデリング / 原子間力モデル / 電極反応 / 非平衡ダイナミクス / 熱伝導 / 第一原理分子動力学法 / 有効遮蔽 / 水素発生反応 / ブルームーンアンサンブル法 / 有効遮蔽媒質法 / 分子動力学シミュレーション / 電気二重層 / シミュレーション / 分子動力学 / 燃料電池 / 電気化学反応 / 固液界面 / 反応経路探索法 / 実時間開発TDDFT / 拡張アンサンブル法 / 生体系、DNA / 酸化還元反応 / 有機単分子架橋系 / 伝導特性解析シミュレーション / 大域的安定構造探索 / オーダーN手法 / 相転移 / スピンクロスオーバー / TDDFT / 励起エネルギー / イオンチャネル / 膜タンパク質 / オーダーN法 / 大規模第一原理計算 / ナノ物質 / 第一原理 Less
  • Research Projects

    (11 results)
  • Research Products

    (349 results)
  • Co-Researchers

    (64 People)
  •  Science on Interfacial Ion Dynamics for Solid State Ionics Devices

    • Principal Investigator
      IRIYAMA YASUTOSHI
    • Project Period (FY)
      2019 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Nagoya University
  •  Theoretical, Computational & Data Science Studies on Interface Ionics for Energy StoragePrincipal Investigator

    • Principal Investigator
      Tateyama Yoshitaka
    • Project Period (FY)
      2019 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      National Institute for Materials Science
  •  First-principles calculation approaches for semiconductor-liquid interfaces with space-charge layer, electric double layer and bias effectPrincipal Investigator

    • Principal Investigator
      Tateyama Yoshitaka
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Condensed matter physics I
    • Research Institution
      National Institute for Materials Science
  •  Development of advanced energy storage system based on overall strategies on new materials and new interface

    • Principal Investigator
      YAMADA Atsuo
    • Project Period (FY)
      2015 – 2019
    • Research Category
      Grant-in-Aid for Specially Promoted Research
    • Review Section
      Science and Engineering
      Engineering
    • Research Institution
      The University of Tokyo
  •  Adiabatic approximation violation on electronic structure due to quantum effect of hydrogen

    • Principal Investigator
      SEKIBA Daiichiro
    • Project Period (FY)
      2013 – 2014
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      University of Tsukuba
  •  Measurement of single-molecule devices connected with conductive polymer chains

    • Principal Investigator
      OKAWA Yuji
    • Project Period (FY)
      2012 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      National Institute for Materials Science
  •  Constraint DFT analysis of interfacial electron transfer between donor and acceptorPrincipal Investigator

    • Principal Investigator
      TATEYAMA Yoshitaka
    • Project Period (FY)
      2011 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Condensed matter physics I
    • Research Institution
      National Institute for Materials Science
  •  Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics Methods

    • Principal Investigator
      TSUNEYUKI Shinji
    • Project Period (FY)
      2010 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Establishment of time-dependent density functional theory approach for photo-excited electron-nuclear dynamics in condensed-matters.Principal Investigator

    • Principal Investigator
      TATEYAMA Yoshitaka
    • Project Period (FY)
      2008 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Mathematical physics/Fundamental condensed matter physics
    • Research Institution
      National Institute for Materials Science
  •  First principles simulation of electrochemical reaction at metal/water interface

    • Principal Investigator
      OTANI Minoru
    • Project Period (FY)
      2007 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Condensed matter physics I
    • Research Institution
      National Institute of Advanced Industrial Science and Technology
      The University of Tokyo
  •  Development of order-N DFT methods and the application on nano materials

    • Principal Investigator
      OHNO Takahisa
    • Project Period (FY)
      2005 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      National Institute for Materials Science

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006

All Journal Article Presentation

  • [Journal Article] Unified understanding and mitigation of detrimental phase transition in cobalt-free LiNiO22024

    • Author(s)
      Konuma Itsuki、Ikeda Naohiro、Campeon Benoit D.L.、Fujimura Hinata、Kikkawa Jun、Luong Huu Duc、Tateyama Yoshitaka、Ugata Yosuke、Yonemura Masao、Ishigaki Toru、Aida Taira、Yabuuchi Naoaki
    • Journal Title

      Energy Storage Materials

      Volume: 66 Pages: 103200-103200

    • DOI

      10.1016/j.ensm.2024.103200

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-23K13822, KAKENHI-PLANNED-19H05815, KAKENHI-PLANNED-19H05816, KAKENHI-PROJECT-21H04698
  • [Journal Article] Nonequilibrium molecular dynamics for accelerated computation of ion-ion correlated conductivity beyond Nernst-Einstein limitation2023

    • Author(s)
      Sasaki Ryoma、Gao Bo、Hitosugi Taro、Tateyama Yoshitaka
    • Journal Title

      npj Computational Materials

      Volume: 9 Issue: 1 Pages: 48-48

    • DOI

      10.1038/s41524-023-00996-8

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21J12566, KAKENHI-PLANNED-19H05815
  • [Journal Article] EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions2023

    • Author(s)
      Jang Seong-Hoon、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 127 Issue: 27 Pages: 5734-5744

    • DOI

      10.1021/acs.jpca.3c00076

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Theoretical Prediction and High-Pressure Synthesis of New LISICON-Type Solid-State Electrolyte Li2.75[B0.625P0.125S0.25]O3.3752023

    • Author(s)
      Ikeda Masahito、Jalem Randy、Hasegawa Gen、Kuwata Naoaki、Liu Qiumin、Yamamoto Takafumi、Shigematsu Kei、Tateyama Yoshitaka、Azuma Masaki
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 127 Issue: 29 Pages: 14117-14124

    • DOI

      10.1021/acs.jpcc.3c02842

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05814, KAKENHI-PLANNED-19H05815
  • [Journal Article] Lithium Ion Transport Environment by Molecular Vibrations in Ion-Conducting Glasses2023

    • Author(s)
      H. Yamada, K. Ohara, S. Hiroi, A. Sakuda, K. Ikeda, T. Ohkubo, K. Nakada, H. Tsukasaki, H. Nakajima, L. Temleitner, L. Pusztai, S. Ariga, A. Matsuo, J. Ding, T. Nakano, T. Kimura, R. Kobayashi, T. Usuki, S. Tahara, K. Amezawa, Y. Tateyama, S. Mori, A. Hayashi
    • Journal Title

      Energy Environ. Mater.

      Volume: 0 Issue: 3

    • DOI

      10.1002/eem2.12612

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PLANNED-19H05814, KAKENHI-PLANNED-19H05816, KAKENHI-PROJECT-21H02038
  • [Journal Article] First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO22023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla, Bo Gao, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 15 Issue: 46 Pages: 53614-53622

    • DOI

      10.1021/acsami.3c14444

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery2023

    • Author(s)
      Wenchong Zhou, Chenchao Xu, Bo Gao, Masanobu Nakayama, Shunsuke Yagi, Yoshitaka Tateyama
    • Journal Title

      ACS Energy Lett.

      Volume: 8 Issue: 10 Pages: 4113-4118

    • DOI

      10.1021/acsenergylett.3c01084

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods2023

    • Author(s)
      Jalem Randy、Tateyama Yoshitaka、Takada Kazunori、Jang Seong-Hoon
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 127 Issue: 35 Pages: 17307-17323

    • DOI

      10.1021/acs.jpcc.3c02801

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Lithium dynamics at grain boundaries of β-Li3PS4 solid electrolyte2023

    • Author(s)
      Jalem Randy、Chandrappa Manas Likhit Holekevi、Qi Ji、Tateyama Yoshitaka、Ong Shyue Ping
    • Journal Title

      Energy Advances

      Volume: 2 Issue: 12 Pages: 2029-2041

    • DOI

      10.1039/d3ya00234a

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Microwave assisted preparation of LiFePO4/C coated LiMn1.6Ni0.4O4 for Li-ion batteries with superior electrochemical properties2023

    • Author(s)
      Vasquez F.A.、Rosero-Navarro N.C.、Jalem R.、Miura A.、Goto Y.、Tateyama Y.、Calderon J.A.、Tadanaga K.
    • Journal Title

      Applied Materials Today

      Volume: 30 Pages: 101697-101697

    • DOI

      10.1016/j.apmt.2022.101697

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities2023

    • Author(s)
      Luong Huu Duc、Xu Chenchao、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      Journal of Power Sources

      Volume: 569 Pages: 232969-232969

    • DOI

      10.1016/j.jpowsour.2023.232969

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Revealing Atomic-Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte2022

    • Author(s)
      Bo Gao, Randy Jalem, Hong-Kang Tian, Yoshitaka Tateyama
    • Journal Title

      Adv. Energy Mater.

      Volume: 12 Issue: 3 Pages: 2102151-2102151

    • DOI

      10.1002/aenm.202102151

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PROJECT-21K14729
  • [Journal Article] Theoretical study on stability and ion transport property with halide doping of Na3SbS4 electrolyte for all-solid-state batteries2022

    • Author(s)
      Randy Jalem, Bo Gao, Hong-Kang Tian, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 10 Issue: 5 Pages: 2235-2248

    • DOI

      10.1039/d1ta07292g

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PROJECT-21K14729
  • [Journal Article] High‐Throughput Data‐Driven Prediction of Stable High‐Performance Na‐Ion Sulfide Solid Electrolytes2022

    • Author(s)
      Jang Seong‐Hoon、Tateyama Yoshitaka、Jalem Randy
    • Journal Title

      Advanced Functional Materials

      Volume: 32 Issue: 48 Pages: 2206036-2206036

    • DOI

      10.1002/adfm.202206036

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Tuning the Electronic, Ion Transport, and Stability Properties of Li-rich Manganese-based Oxide Materials with Oxide Perovskite Coatings: A First-Principles Computational Study2022

    • Author(s)
      Zizhen Zhou, Dewei Chu, Bo Gao, Toshiyuki Momma, Yoshitaka Tateyama, Claudio Cazorla
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 14 Issue: 32 Pages: 37009-37018

    • DOI

      10.1021/acsami.2c07560

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] STEM-EELS Spectrum Imaging of an Aerosol-Deposited NASICON-Type LATP Solid Electrolyte and LCO Cathode Interface2022

    • Author(s)
      S.Muto, Y.Yamamoto, M.Sakakura, Hong-Kang Tian, Y.Tateyama, Y.Iriyama
    • Journal Title

      ACS Applied Energy Materials

      Volume: 5 Issue: 1 Pages: 98-107

    • DOI

      10.1021/acsaem.1c02512

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05813, KAKENHI-PLANNED-19H05815, KAKENHI-PROJECT-21H04616
  • [Journal Article] Atomistic insight into the dopant impacts at the garnet Li7La3Zr2O12 solid electrolyte grain boundaries2022

    • Author(s)
      Gao Bo、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 10 Issue: 18 Pages: 10083-10091

    • DOI

      10.1039/d2ta00545j

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K14729, KAKENHI-PLANNED-19H05815
  • [Journal Article] Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery2021

    • Author(s)
      Yong Youn, Bo Gao, Azusa Kamiyama, Kei Kubota, Shinichi Komaba, Yoshitaka Tateyama
    • Journal Title

      npj Comput. Mater.

      Volume: 7 Issue: 1 Pages: 48-48

    • DOI

      10.1038/s41524-021-00515-7

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery2021

    • Author(s)
      Gao Bo、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 13 Issue: 10 Pages: 11765-11773

    • DOI

      10.1021/acsami.0c19091

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] First-Principles DFT study on Inverse Ruddlesden-Popper Tetragonal Compounds as Solid Electrolytes for All-Solid-State Li+-Ion Batteries2021

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Journal Title

      Chem. Mater.

      Volume: 33 Issue: 15 Pages: 5859-5871

    • DOI

      10.1021/acs.chemmater.1c00124

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PROJECT-21K14729
  • [Journal Article] Boron position-dependent surface reconstruction and electronic states of boron-doped diamond(111) surfaces: an ab initio study2021

    • Author(s)
      Le The Anh, Francesca Celine I. Catalan, Yousoo Kim, Yasuaki Einaga, Yoshitaka Tateyama
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 23 Issue: 29 Pages: 15628-15634

    • DOI

      10.1039/d1cp00689d

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PROJECT-19H00832
  • [Journal Article] Tuning the performance of a Mg negative electrode through grain boundaries and alloying toward the realization of Mg batteries2021

    • Author(s)
      Hong-Kang Tian, Randy Jalem, Masaki Matsui, Toshihiko Mandai, Hidetoshi Somekawa, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 9 Issue: 27 Pages: 15207-15216

    • DOI

      10.1039/d1ta02419a

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] Peculiarly Fast Li-ion Conduction Mechanism in a Succinonitrile-Based Molecular Crystal Electrolyte: A Molecular Dynamics Study2021

    • Author(s)
      Ryoma Sasaki, Makoto Moriya, Yuki Watanabe, Kazunori Nishio, Taro Hitosugi, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 9 Issue: 26 Pages: 14897-14903

    • DOI

      10.1039/d1ta02809j

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PROJECT-21J12566, KAKENHI-PROJECT-21K05256
  • [Journal Article] First-Principles Calculation Study of Na+ Superionic Conduction Mechanism in W- and Mo-Doped Na3SbS4 Solid Electrolytes2020

    • Author(s)
      Jalem Randy、Hayashi Akitoshi、Tsuji Fumika、Sakuda Atsushi、Tateyama Yoshitaka
    • Journal Title

      Chemistry of Materials

      Volume: 32 Issue: 19 Pages: 8373-8381

    • DOI

      10.1021/acs.chemmater.0c02318

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815, KAKENHI-PLANNED-19H05816, KAKENHI-PROJECT-20J15636
  • [Journal Article] Surface-Dependent Stability of the Interface between Garnet Li7La3Zr2O12 and the Li Metal in the All-Solid-State Battery from First-Principles Calculations2020

    • Author(s)
      Gao Bo、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 12 Issue: 14 Pages: 16350-16358

    • DOI

      10.1021/acsami.9b23019

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] Comparative Study on Sulfide and Oxide Electrolyte Interfaces with Cathodes in All-Solid-State Battery via First-Principles Calculations2020

    • Author(s)
      Okuno Yukihiro、Haruyama Jun、Tateyama Yoshitaka
    • Journal Title

      ACS Applied Energy Materials

      Volume: 3 Issue: 11 Pages: 11061-11072

    • DOI

      10.1021/acsaem.0c02033

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-20K15376, KAKENHI-PLANNED-19H05815
  • [Journal Article] Possible high-potential ilmenite type Na_1MO_3 (M=V-Ni) cathodes realized by dominant oxygen redox reaction2020

    • Author(s)
      M. H. N. Assadi, Masashi Okubo, Atsuo Yamada, Yoshitaka Tateyama
    • Journal Title

      Physical Review Materials

      Volume: 4 Issue: 1 Pages: 015401-015401

    • DOI

      10.1103/physrevmaterials.4.015401

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701, KAKENHI-PLANNED-19H05815
  • [Journal Article] Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model2020

    • Author(s)
      H. K. Tian, R. Jalem, B. Gao, Y. Yamamoto, S. Muto, M. Sakakura, Y. Iriyama, and Y. Tateyama
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 12 Issue: 49 Pages: 54752-54762

    • DOI

      10.1021/acsami.0c16463

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05813, KAKENHI-PLANNED-19H05815
  • [Journal Article] Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase: ab initio molecular dynamics study2020

    • Author(s)
      Baba Takeshi、Sodeyama Keitaro、Kawamura Yoshiumi、Tateyama Yoshitaka
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 22 Issue: 19 Pages: 10764-10774

    • DOI

      10.1039/c9cp06608j

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] Lithium-salt monohydrate melt: A stable electrolyte for aqueous lithium-ion batteries2019

    • Author(s)
      Ko Seongjae、Yamada Yuki、Miyazaki Kasumi、Shimada Tatau、Watanabe Eriko、Tateyama Yoshitaka、Kamiya Takeshi、Honda Tsunetoshi、Akikusa Jun、Yamada Atsuo
    • Journal Title

      Electrochemistry Communications

      Volume: 104 Pages: 106488-106488

    • DOI

      10.1016/j.elecom.2019.106488

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17J10359, KAKENHI-PROJECT-18J14097, KAKENHI-PROJECT-15H05701
  • [Journal Article] Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme2019

    • Author(s)
      Gao Bo、Jalem Randy、Ma Yanming、Tateyama Yoshitaka
    • Journal Title

      Chemistry of Materials

      Volume: 32 Issue: 1 Pages: 85-96

    • DOI

      10.1021/acs.chemmater.9b02311

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Journal Article] First-Principles Study on the Peculiar Water Environment in a Hydrate-Melt Electrolyte2019

    • Author(s)
      Miyazaki Kasumi、Takenaka Norio、Watanabe Eriko、Iizuka Shota、Yamada Yuki、Tateyama Yoshitaka、Yamada Atsuo
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 10 Issue: 20 Pages: 6301-6305

    • DOI

      10.1021/acs.jpclett.9b02207

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18J14097, KAKENHI-PROJECT-15H05701
  • [Journal Article] Oxygen redox in hexagonal layered NaxTMO3 (TM =4d elements) for high capacity Na ion batteries2018

    • Author(s)
      M. H. N. Assadi, Masashi Okubo, Atsuo Yamada, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 6 Issue: 8 Pages: 3747-3753

    • DOI

      10.1039/c7ta10826e

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination2017

    • Author(s)
      Satoshi Kajiyama, Lucie Szabova, Hiroki Iinuma, Akira Sugahara, Kazuma Gotoh, Keitaro Sodeyama, Yoshitaka Tateyama, Masashi Okubo, Atsuo Yamada
    • Journal Title

      Advanced Energy Materials

      Volume: - Issue: 9 Pages: 1601873-1601873

    • DOI

      10.1002/aenm.201601873

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-16H00901, KAKENHI-PROJECT-15H03873, KAKENHI-PROJECT-26870385, KAKENHI-PROJECT-15H05701
  • [Journal Article] Surface Hydrogenation of Boron-Doped Diamond Electrodes by Cathodic Reduction2017

    • Author(s)
      Seiji Kasahara, Keisuke Natsui, Takeshi Watanabe, Yasuyuki Yokota, Yousoo Kim, Shota Iizuka, Yoshitaka Tateyama, Yasuaki Einaga
    • Journal Title

      Anal. Chem.

      Volume: 89 Issue: 21 Pages: 11341-11347

    • DOI

      10.1021/acs.analchem.7b02129

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] First-Principles Study of Electron Injection and Defects at the TiO2/ CH3NH3PbI3 Interface of Perovskite Solar Cells2017

    • Author(s)
      Jun Haruyama, Keitaro Sodeyama, Ikutaro Hamada, Liyuan Han, Yoshitaka Tateyama
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 8 Issue: 23 Pages: 5840-5847

    • DOI

      10.1021/acs.jpclett.7b02622

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-16K17969, KAKENHI-PROJECT-15K05138
  • [Journal Article] Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/ Sulfide Electrolyte Interface in a Solid-State Battery2017

    • Author(s)
      Jun Haruyama, Keitaro Sodeyama, Yoshitaka Tateyama
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 9 Issue: 1 Pages: 286-292

    • DOI

      10.1021/acsami.6b08435

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05138, KAKENHI-PROJECT-16K17969
  • [Journal Article] Superconcentrated electrolytes for a high-voltage lithium-ion battery2016

    • Author(s)
      Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Ching Hua Chiang, Yoshitaka Tateyama, Atsuo Yamada
    • Journal Title

      Nature Communications

      Volume: 7 Issue: 1 Pages: 12032-12032

    • DOI

      10.1038/ncomms12032

    • NAID

      120006335663

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-16F16051, KAKENHI-PROJECT-26708030, KAKENHI-PROJECT-15H05701
  • [Journal Article] First-principles study on the cosensitization effects of Ru and squaraine dyes on a TiO2 surface2016

    • Author(s)
      Yusuke Ootani, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama
    • Journal Title

      Surf. Sci.

      Volume: 649 Pages: 66-71

    • DOI

      10.1016/j.susc.2016.01.025

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] A Study on Electrolytic Corrosion of Boron-Doped Diamond Electrodes when Decomposing Organic Compounds2016

    • Author(s)
      Takeshi Kashiwada, Takeshi Watanabe, Yusuke Ootani, Yoshitaka Tateyama, Yasuaki Einaga
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 8 Issue: 42 Pages: 28299-28305

    • DOI

      10.1021/acsami.5b11638

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] Sodium-Ion Intercalation Mechanism in MXene Nanosheets2016

    • Author(s)
      Satoshi Kajiyama, Lucie Szabova, Keitaro Sodeyama, Hiroki Iinuma, Ryohei Morita, Kazuma Gotoh, Yoshitaka Tateyama, Masashi Okubo, and Atsuo Yamada
    • Journal Title

      ACS Nano

      Volume: 10 Issue: 3 Pages: 3334-3341

    • DOI

      10.1021/acsnano.5b06958

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26870385, KAKENHI-PROJECT-15H03873, KAKENHI-PROJECT-15H05701
  • [Journal Article] Catalytic Proton Dynamics at the Water/Solid Interface of Ceria Supported Pt Clusters2016

    • Author(s)
      Matteo Farnesi Camellone, Fabio Negreiros Ribeiro, Lucie Szabova, Yoshitaka Tateyama, Stefano Fabris
    • Journal Title

      J. Am Chem. Soc.

      Volume: 138 Issue: 36 Pages: 11560-11567

    • DOI

      10.1021/jacs.6b03446

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study2016

    • Author(s)
      Yukihiro Okuno, Keisuke Ushirogata, Keitaro Sodeyama, Yoshitaka Tateyama
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 18 Issue: 12 Pages: 8643-8653

    • DOI

      10.1039/c5cp07583a

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] Life of superoxide in aprotic Li–O2 battery electrolytes: simulated solvent and counter-ion effects2016

    • Author(s)
      Johan Scheers, D. Lidberg, Keitaro Sodeyama, Zdenek Futera, Yoshitaka Tateyama
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 18 Issue: 15 Pages: 9961-9968

    • DOI

      10.1039/c5cp08056h

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] A method to calculate redox potentials relative to the normal hydrogen electrode in nonaqueous solution by using density functional theory-based molecular dynamics2015

    • Author(s)
      Ryota Jono, Yoshitaka Tateyama, Koichi Yamashita
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 17 Issue: 14 Pages: 27103-27108

    • DOI

      10.1149/2.0301514jes

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] Corrosion Prevention Mechanism of Aluminum Metal in Superconcentrated Electrolytes2015

    • Author(s)
      Yuki Yamada, Ching Hua Chiang, Keitaro Sodeyama, Jianhui Wang, Yoshitaka Tateyama, Atsuo Yamada
    • Journal Title

      ChemElectroChem.

      Volume: 2 Issue: 11 Pages: 1687-1694

    • DOI

      10.1002/celc.201500235

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05138, KAKENHI-PROJECT-26708030, KAKENHI-PROJECT-15H05701
  • [Journal Article] Investigating crystalline-polarity-dependent electronic structures of GaN by hard x-ray photoemission and ab-initio calculations2015

    • Author(s)
      Takeo Ohsawa, Shigenori Ueda, Motohiro Suzuki, Yoshitaka Tateyama, Jesse R. Williams, Naoki Ohashi
    • Journal Title

      Appl. Phys. Lett.

      Volume: 107 Issue: 17 Pages: 171604-171604

    • DOI

      10.1063/1.4934842

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Journal Article] Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries2014

    • Author(s)
      Y. Yamada, K. Furukawa, K. Sodeyama, K. Kikuchi, M. Yaegashi, Y. Tateyama, and A. Yamada
    • Journal Title

      J. Am. Chem. Soc

      Volume: 136 Issue: 5 Pages: 2112-2118

    • DOI

      10.1021/ja4124175

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Acetonitrile solution effect on Ru N749 dye adsorption and excitation at TiO 2 anatase interface2014

    • Author(s)
      Y. Tateyama, M. Sumita, Y. Ootani, K. Aikawa, R. Jono, L. Han, and K. Sodeyama
    • Journal Title

      J. Phys. Chem. C.

      Volume: (in press) Issue: 30 Pages: 16863-16871

    • DOI

      10.1021/jp5004006

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries2014

    • Author(s)
      Y. Yamada, K. Furukawa, K. Sodeyama, K. Kikuchi, M. Yaegashi, Y. Tateyama, and A. Yamada
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 136 Pages: 5039-5046

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Substitution effects of Ru terpyridyl complexes on photovoltaic and carrier transport properties in dye-sensitized solar cells2013

    • Author(s)
      Youhei Numata, Ashraful Islam, Keitaro Sodeyama, Zhen-Hua Chen, Yoshitaka Tateyama, and Liyuan Han
    • Journal Title

      J. Mater. Chem. A

      Volume: 1 Issue: 36 Pages: 11033-11042

    • DOI

      10.1039/c3ta12152f

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery2013

    • Author(s)
      K. Ushirogata, K. Sodeyama, Y. Okuno, and Y. Tateyama
    • Journal Title

      J. Am. Chem. Soc

      Volume: 135 Issue: 32 Pages: 11967-11974

    • DOI

      10.1021/ja405079s

    • NAID

      40020062919

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Amplification of Conformational Effects via tert-Butyl Groups: Hexa-tert-butyl Decacyclene on Cu(100) at Room Temperature2013

    • Author(s)
      G. Pawin, A. Z. Stieg, C. Skibo, M. Grisolia, R. R. Schilittler, V. Langlais, Y. Tateyama, C. Joachim, and J. K. Gimzewski
    • Journal Title

      Langmuir

      Volume: 29 Issue: 24 Pages: 7309-7317

    • DOI

      10.1021/la304634n

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Unusually Stable ~100-Fold Reversible and Instant Swelling of Inorganic Layered Materials2013

    • Author(s)
      F. Geng, R. Ma, A. Nakamura, K. Akatsuka, Y. Ebina, Y. Yamauchi, N. Miyamoto, Y. Tateyama, and T. Sasaki
    • Journal Title

      Nat. Comm

      Volume: 4 Issue: 1 Pages: 1632-1632

    • DOI

      10.1038/ncomms2641

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089, KAKENHI-PLANNED-24104005
  • [Journal Article] Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules2013

    • Author(s)
      T. Kobori, K. Sodeyama, T. Otsuka, Y. Tateyama and S. Tsuneyuki,
    • Journal Title

      J. Chem. Phys.

      Volume: Q139 Issue: 9 Pages: 94113-94113

    • DOI

      10.1063/1.4818599

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006, KAKENHI-PROJECT-23340089
  • [Journal Article] High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2',3'-d]thiophene derivatives2013

    • Author(s)
      Yu Seok Yang, Takuma Yasuda, Hayato Kakizoe, Hiroyuki Mieno, Hiori Kino, Yoshitaka Tateyama, and Chihaya Adachi
    • Journal Title

      Chem. Commun.

      Volume: 49 Pages: 6483-6485

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] 第一原理計算による光触媒系TiO2/H2O界面の原子スケール解析2012

    • Author(s)
      館山佳尚
    • Journal Title

      表面科学

      Volume: 33 Pages: 345-345

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO 2 Anatase (101) Surface2012

    • Author(s)
      K. Sodeyama, M. Sumita, C. O'Rourke, U. Terranova, A. Islam, L. Han, D. R. Bowler, and Y. Tateyama
    • Journal Title

      J. Phys. Chem. Lett

      Volume: 3 Pages: 472-477

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Redox Reaction Mechanisms with Non-triiodide Mediators in Dye-Sensitized Solar Cells by Redox Potential Calculations2012

    • Author(s)
      R. Jono, M. Sumita, Y. Tateyama, K. Yamashita
    • Journal Title

      J. Phys. Chem. Lett

      Volume: 3 Issue: 23 Pages: 3581-3584

    • DOI

      10.1021/jz301589a

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Ab initio investigation of defect formation at ZrO2-CeO2 interfaces2012

    • Author(s)
      M. Fronzi, S. Cereda, Y. Tateyama, A. De Vita, E. Traversa
    • Journal Title

      Phys. Rev

      Volume: B86 Issue: 8 Pages: 85407-85407

    • DOI

      10.1103/physrevb.86.085407

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Water contamination effect on liquid acetonitrile / TiO2 anatase (101) interface for durable dye-sensitized solar cell2011

    • Author(s)
      M. Sumita, K. Sodeyama, L. Han, and Y. Tateyama
    • Journal Title

      J. Phys. Chem

      Volume: C115 Pages: 19849-19855

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Journal Article] Nonadiabatic couplings from the Kohn-Sham derivative matrix: Formulation by time-dependent density-functional theory and evaluation in the pseudopotential framework2010

    • Author(s)
      C.Hu, H.Hirai O. Sugino, Y.Tateyama
    • Journal Title

      Phys. Rev.A 82

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Interface Water on TiO2 Anatase (101) and (001) Surfaces : First-Principles Study with TiO2 Slabs Dipped in Bulk Water2010

    • Author(s)
      M.Sumita, C.Hu, Y.Tateyama
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY C

      Volume: 114 Pages: 18529-18537

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Interface Water on TiO2 Anatase (101) and (001) Surfaces : First-Principles Study with TiO2 Slabs Dipped in Bulk Water2010

    • Author(s)
      M.Sumita, C.Hu, Y.Tateyama
    • Journal Title

      J.Phys.Chem.C 114

      Pages: 18529-18537

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Nonadiabatic couplings from the Kohn-Sham derivative matrix : Formulation by time-dependent density-functional theory and evaluation in the pseudopotential framework2010

    • Author(s)
      C.Hu, O.Sugino, H.Hirai, Y.Tateyama
    • Journal Title

      PHYSICAL REVIEW A

      Volume: 82 Pages: 62508-62508

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] All-electron calculation of nonadiabatic couplings from time-dependent density functional theory : Probing with the Hartree-Fock exact exchange2009

    • Author(s)
      C.Hu, Y.Tateyama, O.Sugino, J.Chem.
    • Journal Title

      Phys.J.Chem.Phys. 131

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Calculation of atomic excitation energies by time-dependent density functional theory within modified linear response2009

    • Author(s)
      C.Hu, O.Sugino, Y.Tateyama
    • Journal Title

      J.Phys : Condens.Matter 21

      Pages: 64229-64229

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] All-electron calculation of nonadiabatic couplings from time-dependent density functional theory : Probing within the Hartree-Fock exact exchange2009

    • Author(s)
      C.Hu, O.Sugino, Y.Tateyama
    • Journal Title

      Journal of Chemical Physics 131

      Pages: 114101-114101

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Excited State Carbene Formation from UV Irradiated Diazomethane2009

    • Author(s)
      H.Lee, Y.Miyamoto, Y.Tateyama
    • Journal Title

      J.Org.Chem. 74

      Pages: 562-567

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Calculation of atomic excitation energies by time-dependent density functional theory within a modified linear response\2009

    • Author(s)
      Chunping Hu, Osamu Sugino, Yoshitaka Tateyama
    • Journal Title

      J. Phys. : Condens. Matter 21

      Pages: 64229-64229

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Preparation and Optical Properties of Fullerene/Ferrocene Hybrid Hexagonal Nanosheets and Large-Scale Production of Fullerene Hexagonal Nanosheets2009

    • Author(s)
      T.Wakahara, M.Sathish, K.Miyazawa, C.Hu, Y.Tateyama, Y.Nemoto T.Sasaki, O.Ito
    • Journal Title

      Journal of the American Chemical Society 131

      Pages: 9940-9944

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Excited State Carbene Formation from UV Irradiated Diazomethane2009

    • Author(s)
      Hosik Lee, Yoshiyuki Miyamoto, Yoshitaka Tateyama
    • Journal Title

      J. Org. Chem. 74

      Pages: 562-567

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Preparation and Optical Properties of Fullerene/Ferrocene Hybrid Hexagonal Nanosheets and Large Scale Production of Fullerene Hexagonal Nanosheets2009

    • Author(s)
      T.Wakahara, M.Sathish, K.Miyazawa, C.Hu, Y.Tateyama, Y.Nemoto, T.Sasaki, O.Ito
    • Journal Title

      J.Am.Chem.Soc. 131

      Pages: 9940-9944

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Journal Article] Theoretical study of the initial oxidation processes on the Si(001)surface2008

    • Author(s)
      N.Takahashi, Y.Nakamura, J.Nara, Y.Tateyama, 他2名
    • Journal Title

      Surf.Sci 602

      Pages: 768-777

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Journal Article] Free energy calculation of water addition coupled to reduction of aqueous RuO_42007

    • Author(s)
      Y.Tateyama, J.Blumberger, T.Ohno, M.Sprik
    • Journal Title

      J.Chem.Phys 126

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Journal Article] Free energy calculation of water addition coupled to reduction of aqueous RuO40-2007

    • Author(s)
      Y. Tateyama, J. Blumberger, T. Ohno, and M. Sprik
    • Journal Title

      J. Chem. Phys 126

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Journal Article] Free energy calculation of water addition coupled to reduction of aqueous RuO4-2007

    • Author(s)
      Y. Tateyama
    • Journal Title

      J. Chem. Phys. 126

      Pages: 204506-204506

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Journal Article] Real-time propagation TD- DFT study on the ringopening trans- formation of the photoexcited crystalline benzene2006

    • Author(s)
      Y. Tateyama, N. Oyama, T. Ohno, and Y. Miyamoto
    • Journal Title

      J. Chem. Phys 124

      Pages: 124507-124507

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Journal Article] Real-time propagation TDDFT study on the ring-opening transformation of the photoexcited crystalline benzene2006

    • Author(s)
      Yoshitaka Tateyama, Norihisa Oyama, Takahisa Ohno, Yoshiyuki Miyamoto
    • Journal Title

      Journal of Chemical Physics 124

      Pages: 124507-124507

    • Data Source
      KAKENHI-PROJECT-17064017
  • [Journal Article] Real-Time Propagation Time-Dependent Density Functional Theory Study on the Ring-Opening Transformation of the Photoexcited Crystalline Benzene2006

    • Author(s)
      Y.Tateyama, N.Oyama, T.Ohno, Y.Miyamoto
    • Journal Title

      J. Chem. Phys 124

      Pages: 124507-124507

    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] First-principles study on the interplay of strain and state-of-charge with Li-ion diffusion in the LiCoO22023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla, Duc Huu Luong, Bo Gao, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      第64回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Descriptors Extracted from Discharge/Charge Capacity to Predict Battery Cycle Life by Machine Learning Methods2023

    • Author(s)
      Qianli Si, Shoichi Matsuda, Youhei Yamaji, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      74th Annual Meeting of the International Society of Electrochemistry
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 非平衡MD法による固体電解質のイオン相関を考慮したイオン伝導度計算の高速化2023

    • Author(s)
      佐々木遼馬、一杉太郎、館山佳尚
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 電池内の電子・イオン移動に関する計算科学2023

    • Author(s)
      館山 佳尚
    • Organizer
      第84回応用物理学会秋季学術講演会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 理論計算によるイオン伝導度研究の最新動向2023

    • Author(s)
      館山 佳尚
    • Organizer
      第24回超イオン導電体物性研究会(第84回固体イオニクス研究会)
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] イオン性固溶体の安定サイト配置の効率的サンプリングに向けたアルゴリズム開発2023

    • Author(s)
      張 成燻、ハレム ランディ、館山 佳尚
    • Organizer
      日本物理学会第78回年次大会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 酸化物固体電解質粒界における界面イオン伝導に関する第一原理MD解析2023

    • Author(s)
      館山 佳尚、GAO Bo、JALEM Randy
    • Organizer
      日本化学会第103春季年会併設シンポジウム 全固体電池のプロセスサイエンス 第2回シンポジウム
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理計算による高エネルギー密度有機正極活動質の探索と解析2023

    • Author(s)
      館山 佳尚、加賀爪 明子、八尾 勝、松田 翔一、魚崎 浩平
    • Organizer
      第64回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT-based studies on “battery” issues2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      EU-Japan Workshop on High-Performance Computing
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Advanced DFT-MD study on Ion Transport in Solid Electrolyte: Grain Boundary and Ion Correlation2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Japan-US Joint Seminar on Fundamentals of Next Generation Batteries
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] イオン相関を考慮したイオン伝導度の計算高速化に向けた新規非平衡MD法の開発2023

    • Author(s)
      館山 佳尚、佐々木 遼馬、一杉 太郎
    • Organizer
      日本物理学会第78回年次大会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Advanced DFT-MD Study on Ion Transport in Solid Electrolyte: Grain Boundary and Ion Correlation2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IUMRS-ICAM & ICMAT 2023
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Advanced MD Study on Ion Transport in Battery Solid Electrolyte2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Structure and Dynamics of Chemical and Biomolecular Systems (SDCBS23)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 金属負極-電解質界面の計算科学研究動向2023

    • Author(s)
      館山 佳尚
    • Organizer
      近化電池セミナー「金属負極二次電池の現状と展望」
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Features from discharge/charge and relaxation to predict battery cycle life by machine learning2023

    • Author(s)
      Qianli Si, Shoichi Matsuda, Youhei Yamaji, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      第64回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Evaluation of Battery Positive-electrode Performance with Ab-inito Simultaneous Calculations of the Electronic and Ionic Conductivities2023

    • Author(s)
      Huu Duc Luong, Chenchao Xu, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      IUMRS-ICAM & ICMAT 2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] プルシアンブルー中のLi+, Na+, K+ 拡散機構の第一原理計算による比較2023

    • Author(s)
      伊藤暖、張成燻、安東秀峰、門間聰之、館山佳尚
    • Organizer
      第49回固体イオニクス討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Interface Chemistry and Ion Transport in Batteries Revealed by Advanced First-Principles Calculations2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Japanese-German Joint Seminar on Sustainable Batteries
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Designing Novel Antiperovskite-type Solid Electrolytes for All-solid-state Batteries by High-throughput DFT and Machine Learning2023

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Organizer
      IUMRS-ICAM & ICMAT 2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理計算によるプルシアンブルー中の Li+, Na+, K+イオン拡散機構の比較2023

    • Author(s)
      伊藤暖、張成燻、安東秀峰、門間聰之、館山佳尚
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Rechargeable Battery: An Ab-initio Study2023

    • Author(s)
      Wenchong Zhou, Chenchao Xu, Bo Gao, Masanobu Nakayama, Shunsuke Yagi, Yoshitaka Tateyama
    • Organizer
      74th Annual Meeting of the International Society of Electrochemistry
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] First-Principles Study on the Interplay of Strain and State-of-Charge with Li-ion Diffusion in Battery Cathode Material LiCoO22023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      74th Annual Meeting of the International Society of Electrochemistry
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Unravelling the Fast Li-ion Conduction Mechanism in Li(FSA)(SN)2 Molecular Crystal: A Molecular Dynamics Study2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      2023 Japan-Taiwan Nano Material and Biomedicine Workshop
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] First Principles Study on the Interplay of Strain and State of Charge with Li Diffusion in Lithium Cobalt Oxide Cathode Material2023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla Silva, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      第49回固体イオニクス討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理MD を用いた蓄電池のイオン伝導計算手法の開発と応用2023

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」電池課題 第3回公開シンポジウム(成果報告会)
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities2023

    • Author(s)
      Huu Duc Luong, Chenchao Xu, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      第49回固体イオニクス討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理計算2022

    • Author(s)
      館山佳尚
    • Organizer
      電気化学会関東支部第50回先端科学セミナー 電気化学のための計算化学入門
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Tuning the Electronic, Ion Transport and Stability Properties of Li-rich Manganese Based Oxides Cathode with Oxide Perovskite Coating2022

    • Author(s)
      Z. Zhou, D. Chu, B. Gao, T. Momma, Y. Tateyama, C. Cazorla
    • Organizer
      Psi-k 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] スパコンがもたらす蓄電池現象の新たな理解2022

    • Author(s)
      館山佳尚
    • Organizer
      第8回大型実験施設とスーパーコンピューターとの連携シンポジウム
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Battery Electrolyte Exploration via Machine Learning Techniques Coupled with High-Throughput DFT Calculations2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      73rd Annual Meeting of the International Society of Electrochemistry (73rd ISE)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] イオン伝導度の粒子系理論計算の最先端2022

    • Author(s)
      館山佳尚
    • Organizer
      第16回固体イオニクスセミナー
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Standard Electrochemical Potential Analysis Based on DFT Interface Calculation: Microscopic Electrochemistry Framework2022

    • Author(s)
      Yoshitaka Tateyama, Bo Gao
    • Organizer
      31st Topical Meeting of the ISE: Theory and Computation in Electrochemistry
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理計算による蓄電池界面現象の見える化2022

    • Author(s)
      館山佳尚
    • Organizer
      電気化学会電池技術委員会 新電池構想部会第116回講演会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理MD計算によるガーネット型固体電解質材料の粒界Liイオン伝導とそのドーパント効果2022

    • Author(s)
      館山佳尚、高博、JALEM Randy
    • Organizer
      第48回固体イオニクス討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 「京」・「富岳」を用いた蓄電池内現象の見える化2022

    • Author(s)
      館山佳尚
    • Organizer
      「第5回元素戦略シンポジウム」革新的マテリアルでカーボンニュートラルな社会を構築
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 多段階ハイスループット計算による高イオン伝導度を持つナトリウム系硫化物固体電解質の予測2022

    • Author(s)
      張成燻、館山佳尚、JALEM Randy
    • Organizer
      第63回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 「富岳」電池課題の概要2022

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ「富岳」成果創出加速プログラムシンポジウム富岳百景 研究交流会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 「富岳」「京」を用いた蓄電池内現象の可視化2022

    • Author(s)
      館山佳尚
    • Organizer
      第50回産応協セミナー 計算科学の発展と展望:京・富岳の活用事例を通して
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Li過剰マンガン酸化物正極-ペロブスカイト酸化物コート層界面の安定性・イオン物性に関する第一原理計算解析2022

    • Author(s)
      周子臻、Cazorla Claudio, 高博、門間聰之、館山佳尚
    • Organizer
      第63回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Ioon and Electron Transfer at Solid-Solid Interface: DFT Calculation Study with Explicit Interface Model2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      23rd International Conference on Solid State Ionics (SSI-23)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT based ion transfer across interface in battery and microscopic electrochemistry concept2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Psi-k 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 次世代EV開発に向けたバッテリーマテリアル研究on「富岳」2022

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ「富岳」成果創出加速プログラムシンポジウム富岳百景 公開シンポジウム
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 全固体電池材料のイオン輸送機構に関する計算予測2022

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」電池課題 第2回公開シンポジウム(成果報告会)
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 非平衡分子動力学法による固体電解質のイオン-イオン相関を考慮したイオン伝導度計算の高速化2022

    • Author(s)
      佐々木遼馬、高博、一杉太郎、館山佳尚
    • Organizer
      第63回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理計算による全固体電池固体電解質のイオン伝導解析2022

    • Author(s)
      館山佳尚
    • Organizer
      第83回応用物理学会秋季学術講演会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 理論計算による全固体電池の電子・イオン移動の可視化2022

    • Author(s)
      館山佳尚
    • Organizer
      近畿化学協会コンピュータ化学会 第112回例会 公開講演会「電池材料と計算化学」
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Electron and Ion Transfer at Solid-Solid Interface: DFT-based Electrochemistry with Explicit Interface Model2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IMLB 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 新学術領域研究「蓄電固体界面科学」 A03 理論・計算・データ科学研究2022

    • Author(s)
      館山佳尚
    • Organizer
      蓄電固体界面科学第4回公開シンポジウム
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 多段階ハイスループット計算によるナトリウム系硫化物固体電解質の物質設計2022

    • Author(s)
      JANG Seong-Hoon, 館山佳尚, JALEM Randy
    • Organizer
      第48回固体イオニクス討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] カーボンニュートラル社会の実現に向けた電池材料の最先端計算・データ科学と「富岳」の活用2022

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ・ソリューションセミナー2022秋
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] ガーネット型固体電解質材料の粒界イオン伝導とそのドーパント効果に関する第一原理MD解析2022

    • Author(s)
      館山佳尚、高博、ハレム ランディ
    • Organizer
      第63回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Electronic and ionic transports of layered oxide cathodes for lithium-ion batteries2022

    • Author(s)
      Luong Huu Duc, Yoshitaka Tateyama
    • Organizer
      Psi-k 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 「富岳」電池課題全体概要2022

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」電池課題 第2回公開シンポジウム(成果報告会)
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 「富岳」「京」を用いた蓄電池内イオン・電子移動の見える化2022

    • Author(s)
      館山佳尚
    • Organizer
      第23回GREENシンポジウム
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Prediction of Na-ion sulfide solid electrolyte with high ion conductivity by using a multi-stage high-throughput screening technique2022

    • Author(s)
      Seong-Hoon Jang, Yoshitaka Tateyama, Randy Jalem
    • Organizer
      Psi-k 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 62m水系カリウム濃厚電解液のイオン拡散に関する第一原理MD解析2022

    • Author(s)
      小泉健一、館山佳尚
    • Organizer
      第63回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 全固LIB電解質/正極界面相のSTEM-EELS ハイパースペクトラムイメージ解析2021

    • Author(s)
      武藤俊介, 山本悠太, 館山佳尚, 入山恭寿
    • Organizer
      日本顕微鏡学会第77回学術講演会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 触媒・蓄電池内の金属酸化物表面・界面過程の微視的理論2021

    • Author(s)
      館山佳尚
    • Organizer
      第141回フロンティア材料研究所学術講演会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 分子動力学法による Li{N(SO2F)2}(NCCH2CH2CN)2有機結晶電解質の高速リチウムイオン伝導機構の解明2021

    • Author(s)
      佐々木遼馬、守谷誠、渡邊佑紀、西尾和記、一杉太郎、館山佳尚
    • Organizer
      第62回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] First-principles MD simulations of reduction/oxidation reactions in electrolyte solutions2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Pacifichem 2021
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT approaches to electron and ion transfer in battery & DFT-based studies on battery issues2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      EU-Japan workshop on HPC-based material sciences
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT-Based Computational Design Of Inverse Ruddlesden-Popper-Type Solid Electrolytes For All-Solid-State Lithium Ion Battery Application2021

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Organizer
      IUMRS-ICA2021
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT-based understanding of ion transfer at heterogeneous solid-solid interfaces in batteries2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      CECAM/Psi-k Flagship Workshop "Materials Design for Energy Storage and Conversion: Theory and Experiment"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 電解質界面・電解質探索に関する計算・データ科学研究動向2021

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会 第15回技術開発フォーラム:全固体電池の最新動向
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Revealing the Microscopic Electrochemistry at the Cathode/Coating/Solid Electrolyte Interfaces via the First-Principles Structure Prediction Scheme2021

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      第62回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Ion and Electron Transfer at Interfaces in Solid-state Batteries Via First-principles Calculations2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      International Battery Association 2021
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT calculation study on Li metal / LLZO electrolyte interfaces: stability and ion transport2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Interface IONICS online symposium 2021 Spring
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] First-Principles DFT-based Computational Design of Novel Solid Electrolytes with Inverse Ruddlesden-Popper Tetragonal Structure for All-Solid-State Batteries2021

    • Author(s)
      ハレム ランディ、館山佳尚、高田和典、中山将伸
    • Organizer
      第62回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 蓄電池がもたらすグリーン社会2021

    • Author(s)
      館山佳尚
    • Organizer
      応用物理学会 第155回 結晶工学分科会研究会 カーボンニュートラルに結晶工学が果たす役割- 地球温暖化問題の現状と解決に向けた最前線
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT study on interfaces in solid state battery via direct interface models2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      3rd WORLD CONFERENCE ON SOLID ELECTROLYTES FOR ADVANCED APPLICATIONS: GARNETS AND COMPETITORS
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 「富岳」電池課題概要 &全固体電池の材料課題解決への取組み2021

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」成果創出加速プログラム 物質・材料系課題合同研究会プログラム
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Introduction: Materials informatics for a low-carbon society2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      e-ASIA Joint Research Program Online Workshop on Materials Informatics
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Exploration of Li-Rich Inorganic Compounds with Inverse Ruddlesden-Popper-Type Structure by First-Principles DFT Calculations for Solid Electrolyte Application in All-Solid-State Batteries2021

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Organizer
      2021 MRS Fall Meeting & Exhibit
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Microscopic Electrochemistry of Ion Transport at Heterogeneous Solid-Solid Interface in Li-Ion Battery2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IUMRS-ICA2021
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Electron and ion modulation at the NASICON solid-electrolyte/electrode interfaces at static and operating conditions in all-solid-state batteries: A DFT study2020

    • Author(s)
      Hong-Kang Tian, Randy Jalem, Bo Gao, Yoshitaka Tateyama
    • Organizer
      PRiME 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Mg(B(HFIP)4)2系電解質におけるMg金属析出反応機構の解明2020

    • Author(s)
      トウルソン フィロラ, 山本 健太郎,万代 俊彦,館山 佳尚, 中西 康次, 内山 智貴, 渡邊 稔樹, 金村 聖志, 内本 喜晴
    • Organizer
      第61回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Inevitable Critical Issues of Fluorinated Alkoxyborate-based Electrolytes in Magnesium Battery Applications2020

    • Author(s)
      Toshihiko Mandai, Atsushi Ishikawa, Yoshitaka Tateyama
    • Organizer
      PRiME 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] ヘテロ固固界面構造探索手法の開発と全固体電池界面への適用2020

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      日本セラミックス協会 第33回秋季シンポジウム
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT Sampling Studies on Interface Ionics at Heterogeneous Solid-Solid Interfaces in Batteries2020

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      ENGE 2020
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] ガーネット型Li7La3Zr2O12/Li金属負極界面の安定性・酸化還元に関する第一原理計算研究2020

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      第61回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] A Theoretical Study for Revealing the Mechanism of Sodiation in Hard Carbon for High Capacity Anode2020

    • Author(s)
      Yong Youn, Azusa Kamiyama, Kei Kubota, Shinichi Komaba, Yoshitaka Tateyama
    • Organizer
      ENGE 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 炭酸リチウムSEI/グラファイト負極界面におけるLiイオン輸送の第一原理計算解析2020

    • Author(s)
      館山佳尚、袖山慶太郎
    • Organizer
      第61回電池討論会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Theoretical Analysis of Microscopic Interface Ionics at Heterogeneous Solid-Solid Interfaces in Batteries2020

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      PRiME 2020
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] スクシノニトリル系分子結晶電解質の高速リチウムイオン伝導機構の分子動力学解析2020

    • Author(s)
      佐々木 遼馬、守谷 誠、渡邊 佑紀、西尾 和記、一杉 太郎、館山 佳尚
    • Organizer
      電気化学会第88回大会
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理酸化還元反応シミュレーション2019

    • Author(s)
      館山 佳尚
    • Organizer
      第33回分子シミュレーション討論会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] エネルギー物質科学と界面イオニクス・エレクトロニクス2019

    • Author(s)
      館山 佳尚
    • Organizer
      第58回 玉城嘉十郎教授記念公開学術講演会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama,
    • Organizer
      The eleventh International Conference on the Science and Technology for Advanced Ceramics (STAC-11)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Atomic-scale insight into surface morphology and stability of interface between garnet Li7La3Zr2O12 and Li metal from first principles2019

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama,
    • Organizer
      2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors (Garnet2019), Organizing Committee of Garnet 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Force Field Parameterization using Genetic Algorithm for Lithium-Ion Battery Applications2019

    • Author(s)
      Xichan Gao, Yoshitaka Tateyama, Kazuto Akagi,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama
    • Organizer
      The 10th Asian Conference on Electrochemical Power Sources 2019, The organizing committee of ACEPS-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Effects of Magnesium-Organo-Haloaluminate complex in Magnesium Ion Battery electrolytes: A Car-Parrinello Molecular Dynamics (CPMD) Study2019

    • Author(s)
      Ashu Choudhary, Keitaro Sodeyama, Yoshitaka Tateyama,
    • Organizer
      CPMD Meeting 2019 - Pushing the Boundaries of Molecular Dynamics
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Density functional theory-based microkinetic analysis of oxidative coupling of methane catalyzed by pure and lithium-doped magnesium oxide2019

    • Author(s)
      Atsushi Ishikawa, Yoshitaka Tateyama,
    • Organizer
      APCAT-8
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] ハイドレートメルト電解液における特異的溶液構造の理論的解明2019

    • Author(s)
      宮崎かすみ, 竹中規雄, 渡部絵里子, 飯塚将太, 山田裕貴, 館山佳尚, 山田淳夫
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] AMP2: A Package for Automated Ab-initio Calculation for Crystalline Materials2019

    • Author(s)
      Yong Youn, Miso Lee, Changho Hong, Doyeon Kim, Kanghoon Yim, Yoshitaka Tateyama,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] omputational and theoretical electrochemistry of Li-ion states around electrode / solid electrolyte interfaces2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 10th Asian Conference on Electrochemical Power Sources 2019 (ACEPS-10)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 第一原理計算からみた蓄電池界面のイオン・電子状態2019

    • Author(s)
      館山 佳尚
    • Organizer
      第74回 固体イオニクス研究会
    • Invited
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT sampling approach to interface and surface processes in catalyst and battery2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      CPMD Meeting 2019
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Density Functional Theory-Based Microkinetic Analysis of Oxidative Coupling of Methane Catalyzed by Pure and Lithium-Doped Magnesium Oxide2019

    • Author(s)
      Atsushi Ishikawa, Yoshitaka Tateyama,
    • Organizer
      EuropaCat2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT studies on ionic and electronic states around electrode/solid-electrolyte interfaces via efficient structure search techniques2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitor
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] DFT Sampling Studies on Interface Ionics at Disordered Heterogeneous Solid-Solid Interfaces2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] Microscope mechanism of Li-ion transport at Interfaces between LiCoO2 Cathode and Sulfide Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama
    • Organizer
      Materials research meeting 2019, MRS-Japan
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] The Oxidative Coupling of Methane Catalyzed by MgO; A First-Principle Based Microkinetics and Ab-initio Molecular Dynamics Study2019

    • Author(s)
      Atsushi Ishikawa and Yoshitaka Tateyama,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] 高電圧水系二次電池に向けた単水和型ハイドレートメルト電解液の開発2019

    • Author(s)
      高晟齊, 山田裕貴, 宮崎かすみ, 島田頌, 渡部絵里子, 館山佳尚, 神谷武志, 本田常俊, 秋草順, 山田淳夫
    • Organizer
      第60回電池討論会
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Genetic Algorithm Based Force Field Parameterization for Lithium-Ion Battery Applications2019

    • Author(s)
      Xichan Gao, Yoshitaka Tateyama, Kazuto Akagi,
    • Organizer
      計算物質科学人材育成コンソーシアム(PCoMS)シンポジウム
    • Data Source
      KAKENHI-PLANNED-19H05815
  • [Presentation] A passivation mechanism in hydrate-melt electrolytes for high-voltage aqueous lithium-ion batteries2018

    • Author(s)
      Seongiae Ko, Yuki Yamada, Keitaro Sodeyama, Yoshitaka Tateyama, Atsuo Yamada
    • Organizer
      The 19th International Meeting on Lithium Batteries
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Enhanced reductive stability of hydrate-melt electrolytes for high-voltage aqueous lithium-ion batteries2018

    • Author(s)
      YAMADA Yuki, KO Seongjae, SODEYAMA Keitaro, TATEYAMA Yoshitaka, YAMADA Atsuo
    • Organizer
      日本化学会第98回春季大会2018
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Brute-Force First-Principles Sampling Investigations of Battery Electrolytes and Interfaces2017

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Materials research by Information Integration” Initiative (MI2I) Workshop
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination2017

    • Author(s)
      Masashi Okubo, Satoshi Kajiyama, Lucie Szabova, Hiroki Iinuma, Akira Sugahara, Keitaro Sodeyama, Yoshitaka Tateyama, Atsuo Yamada
    • Organizer
      International Battery Association 2017
    • Place of Presentation
      奈良春日野国際フォーラム(奈良県奈良市)
    • Year and Date
      2017-03-09
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] 高電圧水系二次電池用ハイドレートメルト電解液の電気化学安定化機構2017

    • Author(s)
      Seongjae Ko, 山田裕貴, 袖山慶太郎, 館山佳尚, 山田淳夫
    • Organizer
      第58回電池討論会
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Solid-Liquid and Solid-Solid Interfaces in Batteries and Catalysts: Computational Explorations2017

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      8th International Symposium on Surface Science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Unusual passivation ability of superconcentrated electrolytes toward hard carbon negative electrode in sodium-ion batteries2017

    • Author(s)
      Koji Takada, Yuki Yamada, Eriko Watanabe, Jianhui Wang, Keitaro Sodeyama, Yoshitaka Tateyama, Kazuhisa Hirata, Takeo Kawase, Atsuo Yamada
    • Organizer
      The 9th Asian Conference on Electrochemical Power Sources 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] DFT molecular dynamics studies on battery materials: SEI film and superconcentrated electrolyte2017

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      FiMPART2017
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] DFT molecular dynamics sampling studies on battery phenomena and materials on the atomic scale2017

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      4th International Conference on Advanced Electromaterials
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] 層状化合物MXene Ti2Cのリチウムイオン電池負極への応用2017

    • Author(s)
      大久保將史, 梶山智司, 飯沼広基, 菅原哲, Lucie Szabova, 袖山慶太郎, 館山佳尚, 山田淳夫
    • Organizer
      電気化学会第84回大会
    • Place of Presentation
      首都大学東京(東京都八王子市)
    • Year and Date
      2017-03-25
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] DFT molecular dynamics studies on battery materials; SEI film and superconcentrated electrolyte2017

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      6th Polish Forum Smart Energy Conversion & Storage
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] 計算科学技術による蓄電池機構解明・材料設計2017

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應義塾大学
    • Year and Date
      2017-03-17
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] DFT sampling calculation studies on interfacial phenomena in Li-ion batteries2017

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IUMRS-ICAM2017
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Two-Dimensional MXene for Nonaqueous Hybrid Supercapacitors2017

    • Author(s)
      Masashi Okubo, Satoshi Kajiyama, Hiroki Iinuma, Akira Sugahara, Lucie Szabova, Keitaro Sodeyama, Yoshitaka Tateyama, Atsuo Yamada
    • Organizer
      21st International Conference on Solid State Ionics
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Superconcentrated electrolytes for a 5 V-class lithium-ion battery2017

    • Author(s)
      Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Ching Hua Chiang, Yoshitaka Tateyama, Atuso Yamada
    • Organizer
      International Battery Association 2017
    • Place of Presentation
      奈良春日野国際フォーラム(奈良県奈良市)
    • Year and Date
      2017-03-07
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] 高濃度電解液を用いた5V級リチウムイオン電池2016

    • Author(s)
      袖山慶太郎, 山田裕貴, 山田淳夫, 館山佳尚
    • Organizer
      第57回電池討論会
    • Place of Presentation
      幕張メッセ 国際会議場(千葉県千葉市)
    • Year and Date
      2016-11-30
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] DFT-MD Study of Sacrificial Anion Reduction and Li-Ion Diffusion Mechanisms in Superconcentrated Electrolytes2016

    • Author(s)
      Keitaro Sodeyama, Yuki Yamada, Atsuo Yamada, Yoshitaka Tateyama
    • Organizer
      IMLB 2016 - 18th International Meeting on Lithium Batteries
    • Place of Presentation
      シカゴ(USA)
    • Year and Date
      2016-06-20
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] A Hydrate Melt Electrolyte for High Energy Density Aqueous Lithium-Ion Batteries2016

    • Author(s)
      Yuki Yamada, Kenji Usui, Keitaro Sodeyama, Seongjae Ko, Yoshitaka Tateyama, Atsuo Yamada
    • Organizer
      IMLB 2016 - 18th International Meeting on Lithium Batteries
    • Place of Presentation
      シカゴ(USA)
    • Year and Date
      2016-06-23
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] 常温溶融水和物(hydrate melt)を電解液とした3.1V級水系リチウムイオン電池2016

    • Author(s)
      山田裕貴, 碓井健司, Seongjae Ko, 袖山慶太郎, 館山佳尚, 山田淳夫
    • Organizer
      第57回電池討論会
    • Place of Presentation
      幕張メッセ 国際会議場(千葉県千葉市)
    • Year and Date
      2016-11-30
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] ボロンドープダイヤモンド(Boron-Doped Diamond:BDD)電極によるOHラジカル発生機構2016

    • Author(s)
      館山佳尚、Zdenek Futera、渡辺剛志、栄長泰明
    • Organizer
      第118回触媒討論会
    • Place of Presentation
      岩手大学
    • Year and Date
      2016-09-20
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Superconcentrated Electrolytes for a High-Voltage Lithium-Ion Battery2016

    • Author(s)
      Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Ching Hua Chiang, Yoshitaka Tateyama, Atsuo Yamada
    • Organizer
      IMLB 2016 - 18th International Meeting on Lithium Batteries
    • Place of Presentation
      シカゴ(USA)
    • Year and Date
      2016-06-23
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Pseudocapacitive Negative Electrodes Based on Mxene Ti2CTx for High-Power Li-Ion Batteries2016

    • Author(s)
      Satoshi Kajiyama, Hiroki Iinuma, S. Lucie, Keitaro Sodeyama, Akira Sugahara, K. Gotoh, Yoshitaka Tateyama, Masashi Okubo, Atsuo Yamada
    • Organizer
      IMLB 2016 - 18th International Meeting on Lithium Batteries
    • Place of Presentation
      シカゴ(USA)
    • Year and Date
      2016-06-20
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] stat-CPMDを用いた リチウムイオン電池界面被膜に関する第一原理計算研究2016

    • Author(s)
      館山佳尚
    • Organizer
      重点課題⑤「エネルギーの高効率な創出,変換・貯蔵,利用の新規基盤技術の開発」 第3回公開シンポジウム
    • Place of Presentation
      東京大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Ab-initio MD simulations of redox reactions of liquid electrolytes and SEI formation2016

    • Author(s)
      館山佳尚
    • Organizer
      CPMD2016
    • Place of Presentation
      アメリカ・シカゴ大学
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] 低誘電率溶媒を用いた高濃度電解液のLiイオン拡散メカニズムに関する理論的解析2016

    • Author(s)
      大久保將史, 梶山智司, 飯沼広基, 菅原哲, Lucie Szabova, 袖山慶太郎, 館山佳尚, 山田淳夫
    • Organizer
      第57回電池討論会
    • Place of Presentation
      幕張メッセ 国際会議場(千葉県千葉市)
    • Year and Date
      2016-11-29
    • Data Source
      KAKENHI-PROJECT-15H05701
  • [Presentation] Elucidation of complicated reactions around electrolyte – electrode interfaces in Li-ion battery2015

    • Author(s)
      館山佳尚
    • Organizer
      Pacifichem 2015
    • Place of Presentation
      ハワイコンベンションセンター
    • Year and Date
      2015-12-15
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Lithium space-charge layer at interfaces between oxide cathode and sulfide electrolyte for interfacial resistance in all solid state lithium ion battery: A DFT simulation study2015

    • Author(s)
      館山佳尚
    • Organizer
      The 11th Pacific Rim Conference of Ceramic Societies (PACRIM11)
    • Place of Presentation
      International Convention Center, Jeju
    • Year and Date
      2015-08-30
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] DFT samplings reveal atomistic mechanisms in electrolyte and at electrode interface in Li-ion battery2015

    • Author(s)
      館山佳尚
    • Organizer
      MANA-RSC symposium: Materials for Energy Generation and Storage
    • Place of Presentation
      物質・材料研究機構
    • Year and Date
      2015-10-15
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] DFT-MD Study on Formation Processes of Solid Electrolyte Interphase at Negative Electrode Interfaces in Lithium-Ion Battery2015

    • Author(s)
      館山佳尚
    • Organizer
      The 66th Annual Meeting of the International Society of Electrochemistry
    • Place of Presentation
      Taipei Convention Center
    • Year and Date
      2015-10-04
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] 固液界面・酸化還元・電気化学反応の第一原理計算2015

    • Author(s)
      館山佳尚
    • Organizer
      第55回分子科学若手の会夏の学校
    • Place of Presentation
      東京大学本郷キャンパス
    • Year and Date
      2015-08-17
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] 固液界面反応に関する第一原理計算アプローチ:現状と展望2015

    • Author(s)
      館山佳尚
    • Organizer
      第6回真空・表面科学若手研究会
    • Place of Presentation
      物質・材料研究機構
    • Year and Date
      2015-12-04
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] Semiconductor-water interfaces investigated by first principles calculations of boron doped diamond2015

    • Author(s)
      館山佳尚
    • Organizer
      Pacifichem 2015
    • Place of Presentation
      ハワイコンベンションセンター
    • Year and Date
      2015-12-15
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05138
  • [Presentation] DFT-MD Analysis of Redox Reaction at Sollid-Electrolyte Interface in Battery and Solar Cell2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      One Day Workshop on Chemical Reactions at Surfaces and Interface
    • Place of Presentation
      Osaka Univ. Suita, Osaka, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Theoretical study on structures and electronic states of boron-doped diamond (BDD) electrode/water interfaces2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      International Symposium on Diamond Electrochemistry
    • Place of Presentation
      Keio University, Yokohama, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 京で行う充電池材料開発~スマホから電気自動車まで~2014

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ「京」を知る集い in 熊本
    • Place of Presentation
      熊本テルサ
    • Year and Date
      2014-02-15
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 京で行う充電池材料開発~スマホから電気自動車まで~2014

    • Author(s)
      館山佳尚
    • Organizer
      第2回TUT-CMSI見える化シンポジウム
    • Place of Presentation
      秋葉原UDX、千代田区、東京都
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Novel mechanism of reductive decomposition of electrolyte in LIB : A DFT free energy analysis on K(京) computer2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      MANA International Symposium 2014
    • Place of Presentation
      MANA International Symposium 2014
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 酸化物ー溶液界面の酸化還元反応の理論解析2014

    • Author(s)
      館山佳尚
    • Organizer
      日本物理学会第69回年次大会・領域7・9合同シンポジウム
    • Place of Presentation
      東海大学、神奈川県
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Theoretical study on structures and electronic states of boron-doped diamond (BDD) electrode/water interfaces2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      International Symposium on Diamond Electrochemistry
    • Place of Presentation
      Keio University Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery2014

    • Author(s)
      館山佳尚、 後瀉敬介、袖山慶太郎、奥野幸洋
    • Organizer
      元素戦略プロジェクト<研究拠点形成型 >・大型研究施設(CMSI・SPring-8・J-PARC・KEK)連携シンポジウム201
    • Place of Presentation
      柏キャンパス、東京大学、柏市、千葉県
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 京で行う充電池材料開発~スマホから電気自動車まで~2014

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ「京」を知る集い in 熊本
    • Place of Presentation
      熊本テルサ、熊本市、熊本県
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Additive effect on reductive decomposition and binding of carbonate-based electrolyte in Lithium ion battery: A DFT free energy analysis2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      TNT Japan 2014
    • Place of Presentation
      Tokyo Big Sight, Koto-ku, Tokyo, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 酸化物ー溶液界面の酸化還元反応の理論解析2014

    • Author(s)
      館山佳尚
    • Organizer
      日本物理学会第69回年次大会・領域7・9合同シンポジウム
    • Place of Presentation
      東海大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Novel mechanism of reductive decomposition of electrolyte in LIB: A DFT free energy analysis on K(京) computer2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      MANA International Symposium 2014
    • Place of Presentation
      Epochal Tsukuba, Tsukuba, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Additive effect on initial stage of solid electrolyte interphase (SEI) formation in lithium ion baattery2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      the 248th ACS National Meeting
    • Place of Presentation
      San Francisco, CA, USA
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Additive effect on reductive decomposition and binding of carbonate-based electrolyte in Lithium ion battery : A DFT free energy analysis2014

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      TNT Japan 2014
    • Place of Presentation
      Tokyo Big Sight, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 京コンピュータ上での第一原理分子動力学計算を用いたリチウムイオン二次電池の電解液化学反応とSEI形成過程の微視的解析2013

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会 電気化学ディビジョン 化学電池材料研究会 第33回講演会
    • Place of Presentation
      東京理科大学神楽坂キャンパス、新宿区、東京都
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery2013

    • Author(s)
      Y. Tateyama, K. Ushirogata, K. Sodeyama, Y. Okuno
    • Organizer
      CPMD2013
    • Place of Presentation
      Leipzig, Germany
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 「京」を用いた LIB 電解液の還元分解から膜形成にいたる過程の反応解析2013

    • Author(s)
      館山佳尚
    • Organizer
      第7回CMSI産官学連続研究会
    • Place of Presentation
      秋葉原ダイビル
    • Year and Date
      2013-11-21
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Analysis of Redox Reactions at TiO2/Solution Interfaces in Photocatalysis and Dye-Sensitized Solar Cell2013

    • Author(s)
      Y. Tateyama
    • Organizer
      German-Japanese International Workshop "Structure and Control of Interfaces"
    • Place of Presentation
      Magnus-Haus Berlin, Germany
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Studies on Redox Reactions on Solid-Solution Interfaces in Battery and Solar Cell2013

    • Author(s)
      Y. Tateyama, K. Sodeyama, K. Ushirogata, Y. Okuno
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Nara, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Ultra high resolution Resonance Inelastic soft X-ray Scattering for Mg2FeH62013

    • Author(s)
      K. Kurita, D. Sekiba, I. Harayama, K. Chito, Y. Harada, H. Kiuchi, C. Sakai, M. Oshima, K. Sodeyama, Y. Tateyama, R. Sato, M. Matsuo, S. Orimo
    • Organizer
      8th International Conference on Inelastic X-ray Scattering
    • Place of Presentation
      SLAC National Accelerator Laboratory Menlo Park, California, USA
    • Data Source
      KAKENHI-PROJECT-25620009
  • [Presentation] 第一原理MDによるボロンドープダイヤモンド電極/水溶液界面の 電子状態と反応性解析2013

    • Author(s)
      館山佳尚、 Z. Futera, 渡辺剛志、栄長泰明
    • Organizer
      第112回触媒討論会
    • Place of Presentation
      秋田大学、秋田市、秋田県
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Analysis of Redox Reactions at TiO2/Solution Interfaces in Photocatalysis and Dye Sensitized Solar Cell2013

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      German-Japanese International Workshop,"structure and control of interfaces"
    • Place of Presentation
      Magnus House (DPG), Berlin, Germany
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT studies on adsorption and excitation of TiO2/Ru dye/CH3CN interfaces2013

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      International Conference on Dye-Sensitized Solar Cell
    • Place of Presentation
      NIMS, Tsukuba, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Analysis of Redox Reaction at Solid-Electrolyte Interface in Battery and Solar Cell2013

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 16th Asian Workshop on First-Principles Electronic Structure Calculations (Asian-16)
    • Place of Presentation
      Jiuhua Resort & Convention Center VIP building, Beijing, China
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] TiO2ルチル・アナターゼ/ 水界面における 光触媒反応性のDFT-MD解析2013

    • Author(s)
      館山佳尚
    • Organizer
      第20回記念シンポジウム、光触媒 反応の最近の展
    • Place of Presentation
      駒場IIキャンパス、東京大学、目黒区、東京都
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Analysis of Redox Reaction at Sollid-Electrolyte Interface in Battery and Solar Cell2013

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 16th Asian Workshop on First-Principles Electronic Structure Calculations (Asian-16)
    • Place of Presentation
      Jiuhua Resort & Convention Center VIP building, Beijing, China
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Redox Reacton Mechanisms at TiO-water interfaces: A DFT Molecular Dynamics Study2013

    • Author(s)
      Y. Tateyama, K. Aikawa, M. Sumita
    • Organizer
      The 64th annual meeting of the ISE
    • Place of Presentation
      Queretaro, Mexico
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Studies on Redox Reactions on Solid-Solution Interfaces in Battery and Solar Cell2013

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 京コンピュータ上での第一原理分子動力学計算を用いたリチウムイオン二次電池の電解液化学反応と SEI 形成過程の微視的解析2013

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会, 電気化学ディビジョン, 化学電池材料研究会, 第33回講演会
    • Place of Presentation
      東京理科大学
    • Year and Date
      2013-12-18
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD 自由エネルギー計算 による リチウムイオン電池電解液・添加剤の還元反応解析2013

    • Author(s)
      館山佳尚、後瀉敬介、袖山慶太郎、奥野幸洋
    • Organizer
      分子科学討論会2013
    • Place of Presentation
      京都テルサ、京都市
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT-MD Analysis of Redox Reactions at TiO2/Solution Interfaces in Photocatalysis and Dye-Sensitezed Solar Cell2013

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 1st Hayashi Conference
    • Place of Presentation
      Hayama, Kanagawa, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] エネルギー問題に対する計算物質科学2013

    • Author(s)
      館山佳尚
    • Organizer
      CMSI夏の学校2013
    • Place of Presentation
      蔵王温泉、山形市、山形県
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 熱力学サイクル法を用いたDFT-PCM酸化還元電位計算:色素増感太陽電池系の酸化還元反応への応用2013

    • Author(s)
      館山佳尚
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 「京」を用いた LIB電解液の還元分解から膜形成にいたる過程の反応解析2013

    • Author(s)
      館山佳尚
    • Organizer
      第7回CMSI産官学連続研究会
    • Place of Presentation
      秋葉原ダイビル、千代田区、東京都
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 固液界面の酸化還元過程に関する第一原理計算解析2012

    • Author(s)
      館山佳尚
    • Organizer
      表面科学学術講演会
    • Place of Presentation
      東北大学片平キャンパス
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] TiO2/水界面の電子・正孔状態に関する第一原理計算解析2012

    • Author(s)
      館山佳尚
    • Organizer
      ISSP ワークショップ「表面・界面における輸送と変換」
    • Place of Presentation
      東京大学物性研究所
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 固液界面の酸化還元過程に関する第一原理計算解析2012

    • Author(s)
      館山佳尚
    • Organizer
      表面科学学術講演会
    • Place of Presentation
      東北大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT approaches to semiconductor/oxide-solution interfaces for catalysts and solar cells2012

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      MASP 2012
    • Place of Presentation
      ISSP, The University of Tokyo, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 第一原理計算による TiO2/H2O界面の原子スケール解析2012

    • Author(s)
      館山佳尚
    • Organizer
      第110回触媒討論会
    • Place of Presentation
      九州大学伊都キャンパス
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 色素増感太陽電池電極アナターゼTiO2 (101)/ アセトニトリル界面における水 分子の影響2012

    • Author(s)
      館山佳尚
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜国立大学
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] DFT approaches to semiconductor/oxide-solution interfaces2012

    • Author(s)
      Y. Tateyama
    • Organizer
      MASP2012
    • Place of Presentation
      ISSP, The University of Tokyo
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 第一原理計算によるTiO2/H2O界面の原子スケール解析2012

    • Author(s)
      館山佳尚
    • Organizer
      第110回触媒討論会
    • Place of Presentation
      九州大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] TiO2/水界面の電子・正孔状態に関する第一原理計算解析2012

    • Author(s)
      館山佳尚
    • Organizer
      ISSPワークショップ表面・界面における輸送と変換
    • Place of Presentation
      東京大学物性研究所
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 第一原理計算によるTiO2/H2O界面の原子スケール解析2012

    • Author(s)
      館山佳尚
    • Organizer
      第12回光触媒研究討論会
    • Place of Presentation
      東京大学先端科学技術研究センター
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 固液界面反応に向けた第一原理MD解析:色素増感太陽電池を中心に2011

    • Author(s)
      館山佳尚
    • Organizer
      東京大学物性研究所短気研究会「エネルギー変換の物性科学」
    • Place of Presentation
      東京大学物性研究所(千葉県柏市)(招待講演)
    • Year and Date
      2011-11-15
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] First-principles calculation study on redox reactivity of diamond(111)/water interface2011

    • Author(s)
      Y.Tateyama
    • Organizer
      MANA International Symposium 2011
    • Place of Presentation
      Tsukuba Epochal(茨城県)
    • Year and Date
      2011-03-03
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 光触媒・太陽電池の界面状態解明に向けたTiO2アナターゼ電極/溶液界面の第一原理分子動力学解析/2011

    • Author(s)
      M.Sumita, K.Sodeyama, Y.Tateyama
    • Organizer
      物性研・CMSI・次世代ナノ情報 合同研究会
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Year and Date
      2011-01-05
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Equilibrium Structures and Electronic States of TiO_2/Solution Interfaces for Dye-Sensitized Solar Cell and Photocatalysis : DFT-MD Sampling Analysis2011

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      第21回日本 MRS 学術シンポジウム
    • Place of Presentation
      横浜市情報文化センター
    • Year and Date
      2011-12-21
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] First-Principles Study on Semiconductor Electrode/Liquid Interfaces for Photocatalysis and Dye-Sensitised Solar Cell2011

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Fourth International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Centre, Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] 固液界面反応に向けた第一原理計算解析2011

    • Author(s)
      館山佳尚
    • Organizer
      色素増感太陽電池を中心に東京大学物性研究所短期研究会「エネルギー変換の物性科学」
    • Place of Presentation
      東京大学物性研究所
    • Year and Date
      2011-11-15
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] Interfacial water on TiO2 anatase (101) and (001) surfaces : First-principles study with TiO2 slabs dipped in bulk water2011

    • Author(s)
      Y.Tateyama, M.Sumita, C.Hu
    • Organizer
      APS March Meeting 2011
    • Place of Presentation
      Dallas Convention Center(米国)
    • Year and Date
      2011-03-23
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] First-principles study on Ru dye on TiO2 anatase (101) surface2011

    • Author(s)
      K.Sodeyama, M.Sumita, Y.Tateyama
    • Organizer
      APS March Meeting 2011
    • Place of Presentation
      Dallas Convention Center(米国)
    • Year and Date
      2011-03-23
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] TiO_2/溶液界面の界面構造・電子状態2011

    • Author(s)
      館山佳尚
    • Organizer
      光触媒・色素増感太陽電池の微視的機構解明に向けて次世代ナノ統合シミュレーションソフトウェアの研究開発連続研究会 : 燃料電池 No・5
    • Place of Presentation
      兵庫県立大学ポートアイランドキャンパス
    • Year and Date
      2011-12-27
    • Invited
    • Data Source
      KAKENHI-PROJECT-23340089
  • [Presentation] TiO_2 anatase/水界面の水分子吸着に関する第一原理分子動力学シミュレーシヨン2010

    • Author(s)
      隅真人, 胡春平,館山佳尚
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学(岡山市)
    • Year and Date
      2010-03-20
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab Initio Free Energy Calculation Methods for Redox Reactions2010

    • Author(s)
      Y.Tateyama
    • Organizer
      International Conference on Core Research and Engineering Science
    • Place of Presentation
      Osaka University(大阪府)
    • Year and Date
      2010-06-04
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 時間依存密度汎関数理論による非断熱結合の計算:最近の進展,文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト2010

    • Author(s)
      胡春平、杉野修、館山佳尚
    • Organizer
      次世代ナノ統合シミュレーションソフトウェアの研究開発第4回公開シンポジウム
    • Place of Presentation
      自然科学研究機構(愛知)
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 第一原理計算による固液界面での酸化還元反応解析2010

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会第90春季年会
    • Place of Presentation
      近畿大学(大阪市)
    • Year and Date
      2010-03-26
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 第一原理計算による固液界面での酸化還元反応解析2010

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会第90春季年会
    • Place of Presentation
      近畿大学(大阪)(Invited)
    • Year and Date
      2010-03-26
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] TiO_2 anatase/水界面の水分子吸着に関する第一原理分子動力学シミュレーション2010

    • Author(s)
      隅田真人, 胡春平, 館山佳尚
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学(岡山市)
    • Year and Date
      2010-03-20
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 時間依存密度汎関数法による非断熱結合係数の計算手法:擬ポテンシャル・平面波基底を用いた高精度計算2010

    • Author(s)
      胡春平, 杉野修, 平井宏俊, 館山佳尚
    • Organizer
      第4回分子科学討論会2010大阪
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2010-09-16
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Interfacial water on TiO2 anatase (101) and (001) surfaces by first-principles molecular dynamics with TiO2 slabs dipped in bulk water2010

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      MANA International Symposium 2010
    • Place of Presentation
      つくば国際会議場(つくば市)
    • Year and Date
      2010-03-05
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] TiO2/H2O界面における吸着構造、水素結合および酸化還元能2010

    • Author(s)
      館山佳尚
    • Organizer
      第8回水素量子アトミクス研究会
    • Place of Presentation
      愛媛大学(愛媛県)
    • Year and Date
      2010-10-28
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Computational photo and thermo reactions between tetra tert butyl cyclobutadiene and tetrahedrane2010

    • Author(s)
      M.Sumita, Y.Tateyama, K.Saito
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu
    • Year and Date
      2010-12-15
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] First-principles MD study on redox reaction ability of semiconductor/water interfaces2010

    • Author(s)
      Y.Tateyama
    • Organizer
      CECAM workshop "ab initio electrochemistry"
    • Place of Presentation
      Ecole Polytechnique Federale de Lausanne(スイス)
    • Year and Date
      2010-07-12
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Density-functional molecular dynamics study on interfacial water2010

    • Author(s)
      Y.Tateyama, M.Sumita, C.Hu
    • Organizer
      240th ACS National meeting
    • Place of Presentation
      Boston Convention and Exhibition Center(米国)
    • Year and Date
      2010-08-23
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 時間依存密度汎関数法による非断熱結合係数の計算手法:擬ポテンシャル・平面波基底を用いた高精度計算2010

    • Author(s)
      胡春平,杉野修,平井宏俊,館山佳尚
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2010-09-16
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] BigDFTを用いた大規模第一原理計算による表面連鎖重合反応メカニズムの考察2010

    • Author(s)
      胡春平, 館山佳尚, Stefan Goedecker, 大川祐司,青野正和
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学(岡山市)
    • Year and Date
      2010-03-23
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Computational photo and thermo reactions between tetra-tert-butyl-cyclo butadiene and tetrahedrane2010

    • Author(s)
      隅由真人、館山佳尚、齋藤一弥
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Hawaii Convention Center;(米国)
    • Year and Date
      2010-12-12
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 共鳴内殻励起軟X線照射による単層カーボンナノチューブへの欠陥導入の機構について2010

    • Author(s)
      目良裕, 有馬智史, 原田慈久, 畠賢治, 館山佳尚, 前田康二
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学(岡山市)
    • Year and Date
      2010-03-21
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Interfacial water on TiO2 anatase/bulk water interfaces : first-principles molecular dynamics via TiO2 slabs dipped in bulk water2010

    • Author(s)
      Y.Tateyama, M.Sumita, C.Hu
    • Organizer
      STAC4
    • Place of Presentation
      Mielparque Yokohama(神奈川県)
    • Year and Date
      2010-06-21
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab Initio Free Energy Calculation Methods for Redox Reactions2010

    • Author(s)
      Y.Tateyama
    • Organizer
      International Conference on Core Research and Engineering Science
    • Place of Presentation
      Osaka(Invited)
    • Year and Date
      2010-06-04
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 円錐型交差から見たシクロブタジエンとテトラへドラン間の基底状態ポテンシャルエネルギー曲面2010

    • Author(s)
      隅田真人,斉藤一弥,館山佳尚
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2010-09-16
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] First-principles molecular dynamics study on water adsorption and interfacial water on TiO_2 anatase/bulk water interfaces2010

    • Author(s)
      Masato Sumita, Chunping Hu, Yoshitaka Tateyama
    • Organizer
      NIMS International Workshop on Photocatalysis and Environmental Remediation Materials 2010
    • Place of Presentation
      物質・材料研究機構(つくば市)
    • Year and Date
      2010-02-24
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Water structure and redox reactivity of TiO2 anatase/water interfaces : Firstprinciples MD study with TiO2 slabs soaked in bulk water2010

    • Author(s)
      Y.Tateyama, M.Sumita, C.Hu
    • Organizer
      Psi-K conference 2010
    • Place of Presentation
      Free University Berlin(ドイツ)
    • Year and Date
      2010-09-13
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] TDDFTによるspin-polarized系の励起状態ダイナミクス計算2009

    • Author(s)
      胡春平、宮本良之、館山佳尚
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学(熊本市)
    • Year and Date
      2009-09-26
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] All-Electron Calculation of Nonadiabatic Couplings from TDDFT : Probing with the Hartree-Fock Exact Exchange2009

    • Author(s)
      Yoshitaka Tateyama, Chunping, Hu, Osamu sugino
    • Organizer
      From Basic Concepts to Real Materials
    • Place of Presentation
      University of California, Santa Barbara (米国)
    • Year and Date
      2009-11-04
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 原子基底を用いた非断熱結合係数のTDDFT全電子計算手法2009

    • Author(s)
      胡春平,杉野修,館山佳尚
    • Organizer
      "文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト"次世代ナノ統合シミュレーションソフトウェアの研究開発第3回公開シンポジウム
    • Place of Presentation
      自然科学研究機構(愛知)
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] All electron calculation ofnonadiabatic couplings from TDDFT : Probing with the Hartree-Fock exact exchange2009

    • Author(s)
      Y.Tateyama, C.Hu, O.Sugino
    • Organizer
      From Basic Concepts to Real Materials (KITP conference)
    • Place of Presentation
      UCSB
    • Year and Date
      2009-11-02
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Nonadiabatic couplings from time-dependent density functional theory : Pseudopotential and all-electron schemes2009

    • Author(s)
      Chunping Hu, Osamu Sugino, Yoshitaka Tateyama
    • Organizer
      Gordon Research Conference : Time-Dependent Density Functional Theory, Colby-Sawyer College
    • Place of Presentation
      New London, NH (USA)
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Beyond the Born-Oppenheimer dynamics2009

    • Author(s)
      Osamu Sugino, Hirotoshi Hirai, Chunping Hu, Yoshitaka Tateyama
    • Organizer
      The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Institute of Physics, Chinese Academy of Sciences
    • Place of Presentation
      Beijing (China)(Invited)
    • Year and Date
      2009-10-26
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Nonadiabatic couplings from time-dependent density functional theory: Recent progress2009

    • Author(s)
      Chunping Hu, Osamu Sugino, Yoshitaka Tateyama
    • Organizer
      The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Institute of Physics, Chinese Academy of Sciences
    • Place of Presentation
      Beijing (China)
    • Year and Date
      2009-10-27
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] TDDFTによるspin-polarized系の励起状態ダイナミクス計算2009

    • Author(s)
      胡春平,宮本良之,館山佳尚
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学(熊本)
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] TDDFTによる非断熱結合係数の全電子計算手法2009

    • Author(s)
      胡春平,杉野修,館山佳尚
    • Organizer
      日本物理学会第64回年次大会
    • Place of Presentation
      立教大学(東京)
    • Year and Date
      2009-03-27
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Nonadiabatic couplings from TDDFT : Pseudopotential and all-electron schemes2009

    • Author(s)
      Chunping, Hu, Osamu sugino, Yoshitaka Tateyama
    • Organizer
      Gordon Research Conference : Time-Dependent Density-Functional Theory
    • Place of Presentation
      Colby-Sawyer College, New London, NH (米国)
    • Year and Date
      2009-07-06
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Free energies of redox (electron transfer) reactions of iodides in solution / Free energies of redox (electron transfer) reactions of iodides in solution2009

    • Author(s)
      Y. Tateyama
    • Organizer
      14th International Workshop on Computational Physics and Materials Science
    • Place of Presentation
      ICTP, Trieste, Italy
    • Year and Date
      2009-01-09
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] 第一原理MDによるダイヤモンド電極/水溶液界面の構造および電子状態2009

    • Author(s)
      館山佳尚
    • Organizer
      日本物理学会第64回年次大会
    • Place of Presentation
      立教大学
    • Year and Date
      2009-03-30
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] 時間依存密度汎関数法による非断熱結合係数の計算手法:全電子・原子基底での実証研究2009

    • Author(s)
      胡春平,杉野修,館山佳尚
    • Organizer
      第12回理論化学討論会
    • Place of Presentation
      東京大学本郷キャンパス(東京)
    • Year and Date
      2009-05-28
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 電解質溶液中電子移動反応の第一原理シミュレーション2009

    • Author(s)
      館山佳尚
    • Organizer
      特定領域「量子デザイン」A02班ミニワークショップ
    • Place of Presentation
      大阪大学産業科学研究所
    • Year and Date
      2009-01-16
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Ab initio MD study on redox reactions in electrolyte solution of DSSC / Ab initio MD study on redox reactions in electrolyte solution of DSSC2009

    • Author(s)
      Y. Tateyama
    • Organizer
      MANA International symposium 2009
    • Place of Presentation
      つくばエポカル、つくば市
    • Year and Date
      2009-02-27
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab initio free energy approach to redox reaction in solution and on solid/solution interface / Ab initio free energy approach to redox reaction in solution and on solid/solution interface2009

    • Author(s)
      Y. Tateyama
    • Organizer
      2009 WPI-AIMR annual workshop
    • Place of Presentation
      蔵王ロイヤルホテル、蔵王町、宮城県
    • Year and Date
      2009-03-05
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Preparation and optical properties of fullerene/ferrocene hybrid hexagonal nanosheets2009

    • Author(s)
      T.Wakahara, K.Miyazawa, M.Sathish, C.Hu, Y.Tateyama, Y.Nemoto, T.Sasaki, O.Ito
    • Organizer
      IUPAC 5th International Symposium on Novel Materials and Synthesis (NMS-V), Fudan University
    • Place of Presentation
      Shanghai (China)
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab initio MD study on redox reactions on semiconductor/water interface2009

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 8th Japan-France Workshop on Nanomaterials
    • Place of Presentation
      物質・材料研究機構(つくば市)
    • Year and Date
      2009-06-16
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 半導体電極/水溶液界面における酸化還元電位及び電子移動反応の第一原理解析2009

    • Author(s)
      館山佳尚、渡辺剛志、栄長泰明
    • Organizer
      第3回分子科学討論会2009
    • Place of Presentation
      名古屋大学(名古屋市)
    • Year and Date
      2009-09-23
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 時間依存密度汎関数法による非断熱結合係数の厳密な計算式および精度の実証2009

    • Author(s)
      胡春平、平井宏俊、杉野修、館山佳尚
    • Organizer
      第12回理論化学討論会
    • Place of Presentation
      東京大学本郷キャンパス(東京都)
    • Year and Date
      2009-05-28
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Free energies of redox (electron transfer) reactions of iodides in solution / Free energies of redox (electron transfer) reactions of iodides in solution2009

    • Author(s)
      Y. Tateyama
    • Organizer
      14th International Workshop on Computational Physics and Materials Science
    • Place of Presentation
      ICTP, Trieste, Italy
    • Year and Date
      2009-01-09
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Photoexcited Electron Ion Dynamics within Time Dependent Density Functional Theory2009

    • Author(s)
      Chunping, Hu, Yoshiyuki Miyamoto, Yoshitaka Tateyama
    • Organizer
      ChinaNANO2009
    • Place of Presentation
      Beijing International Convention Center (中国)
    • Year and Date
      2009-09-02
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 両面スラブモデルによる固液界面酸化還元反応の第一原理解析2009

    • Author(s)
      館山佳尚、渡辺剛志、栄長泰明
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学(熊本市)
    • Year and Date
      2009-09-26
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 第一原理MDサンプリングによる固液界面酸化還元反応の解析2009

    • Author(s)
      館山佳尚
    • Organizer
      次世代ナノ・連続研究会:燃料電池(No.3)
    • Place of Presentation
      東京大学本郷キャンパス(東京都)
    • Year and Date
      2009-11-17
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Photoexcited electron-ion dynamics within time-dependent density functional theory2009

    • Author(s)
      Chunping Hu, Yoshiyuki Miyamoto, Yoshitaka Tateyama
    • Organizer
      International Conference on Nanoscience and Technology, China 2009 (ChinaNANO 2009)
    • Place of Presentation
      Beijing (China)
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab initio free energy approach to redox reaction in solution and on solid/solution interface / Ab initio free energy approach to redox reaction in solution and on solid/solution interface2009

    • Author(s)
      Y. Tateyama
    • Organizer
      2009 WPI-AIMR annual workshop
    • Place of Presentation
      蔵王ロイヤルホテル
    • Year and Date
      2009-03-05
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Ab initio MD study on redox reactions in electrolyte solution of DSSC / Ab initio MD study on redox reactions in electrolyte solution of DSSC2009

    • Author(s)
      Y. Tateyama
    • Organizer
      MANA International symposium 2009
    • Place of Presentation
      つくばエポカル
    • Year and Date
      2009-02-27
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Overestimation of excitation energy in DFT and TDDFT calculation / Overestimation of excitation energy in DFT and TDDFT calculation2008

    • Author(s)
      館山佳尚
    • Organizer
      次世代ナノ情報機能・材料グループ成果報告会
    • Place of Presentation
      仙台、東北大金研
    • Year and Date
      2008-12-11
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Ab-initio MD Methods for Free Energies of Chemical Reactions Coupled to Electron Transfer2008

    • Author(s)
      Y. Tateyama
    • Organizer
      World Association of Theoretical and Computational Chemists (WATOC) 2008
    • Place of Presentation
      Sydney
    • Year and Date
      2008-09-14
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] DFT/TDDFTにおける励起エネルギー「過大」評価問題2008

    • Author(s)
      館山佳尚,大塚教雄,M.Sprik
    • Organizer
      日本物理学会2008年秋季大会
    • Place of Presentation
      岩手大学
    • Year and Date
      2008-09-21
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab-initio MD Methods for Free Energies of Chemical Reactions Coupled to Electron Transfer2008

    • Author(s)
      Y. Tateyama
    • Organizer
      World Associaion of Theoretical and Computational Chemists (WATOC) 2008
    • Place of Presentation
      Sydney Convention Centre、シドニー、オーストラリア
    • Year and Date
      2008-09-14
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 第-原理計算から見た鉄中の水素-空孔・欠陥相互作用2008

    • Author(s)
      館山 佳尚
    • Organizer
      水素脆化研究の基盤構築フォーラム
    • Place of Presentation
      上智大学
    • Year and Date
      2008-03-07
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] 第一原理計算から見た鉄中の水素ー空孔・欠陥相互作用2008

    • Author(s)
      館山佳尚
    • Organizer
      水素脆化研究の基盤構築フォーラム
    • Place of Presentation
      上智大学、千代田区
    • Year and Date
      2008-03-07
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Calculation of atomic excitation energies by time-dependent density functional theory within modified linear response/Calculation of atomic excitation energies by time-dependent density functional theory within modified linear response2008

    • Author(s)
      C.Hu, O.Sugino, Y.Tateyama
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-06-01
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab initio molecular dynamics study on iodide redox (electron transfer) reactions in solution2008

    • Author(s)
      Y. Tateyama
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      日本科学未来館、東京都
    • Year and Date
      2008-06-06
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Novel First-Principles Molecular Dynamics Method for Free Energy Analysis of Redox Reaction2008

    • Author(s)
      Y. Tateyama
    • Organizer
      MANA International Symposium2008
    • Place of Presentation
      物質材料機構
    • Year and Date
      2008-03-13
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] DFT/TDDFTにおける励起エネルギー「過大」評価問題2008

    • Author(s)
      館山佳尚
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡コンベンションセンター、福岡市
    • Year and Date
      2008-09-24
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 三ハロゲン化物イオン溶液に関する第一原理分子動力学シミュレーション2008

    • Author(s)
      館山佳尚
    • Organizer
      日本物理学会2008年秋季大会
    • Place of Presentation
      盛岡、岩手大学
    • Year and Date
      2008-09-21
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Overestimation of excitation energy in DFT and TDDFT calculations2008

    • Author(s)
      Y.Tateyama, T.Otsuka, L.Bernasconi, M.Sprik
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-06-01
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Novel First-Principles Molecular Dynamics Method for Free Energy Analysis of Redox Reaction2008

    • Author(s)
      Y.Tateyama
    • Organizer
      MANA International Symposium 2008
    • Place of Presentation
      NIMS, Tsukuba
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Overestimation of excitation energy in DFT and TDDFT calculation2008

    • Author(s)
      Y. Tateyama
    • Organizer
      次世代ナノ情報機能・材料グループ成果報告会
    • Place of Presentation
      東北大学金属材料研究所、仙台市
    • Year and Date
      2008-12-11
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Overestimation of excitation energy in DFT and TDDFT calculations2008

    • Author(s)
      Y. Tateyama
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      日本未来館 (Tokyo)
    • Year and Date
      2008-06-01
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Overestimation of excitation energy in DFT and TDDFT calculations2008

    • Author(s)
      Y. Tateyama
    • Organizer
      International Conference on Quantum Simulators and Design 2008 (Tokyo)
    • Place of Presentation
      日本科学未来館、東京都
    • Year and Date
      2008-06-01
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] 時間依存密度汎関数法による非断熱結合係数の厳密な計算式および精度の検証2008

    • Author(s)
      胡春平,杉野修,館山佳尚
    • Organizer
      第2回分子科学討論会2008
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-24
    • Data Source
      KAKENHI-PROJECT-20540384
  • [Presentation] Ab initio molecular dynamics study on iodide redox (electron transfer) reactions in solution2008

    • Author(s)
      Y. Tateyama
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      日本未来館(Tokyo)
    • Year and Date
      2008-06-06
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] DFT/TDDFTにおける励起エネルギー「過大」評価問題2008

    • Author(s)
      館山佳尚
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] 電子移動に伴う結合開裂・形成反応向けの第一原理自由エネルギー計算手法の開発2007

    • Author(s)
      館山佳尚
    • Organizer
      「次世代ナノ情報機能・材料」成果報告会
    • Place of Presentation
      東京大学小柴ホール、文京区
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Density-functional constrained molecular dynamics energy gap(DF-CMD-EG)method for free energy calculation of chemical reaction coupled to electron transfer2007

    • Author(s)
      Y.Tateyama
    • Organizer
      FADFT2007
    • Place of Presentation
      ISSP, The University of Tokyo, Kashiwa
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Computational electrochemistry:電気化学反応に対する新規第一原理アプローチ2007

    • Author(s)
      館山佳尚
    • Organizer
      東大物性研短期研究会「物性化学のフロンティア2007」
    • Place of Presentation
      東京大学物性研究所
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Water addition along with reduction of aqueous ruthenium complexes by ab initio free energy calculation method for bond breaking/formation coupled to electron transfer2007

    • Author(s)
      Y. Tateyama, J. Blumberger, T. Ohno, M. Sprik
    • Organizer
      American Chemical Society 234th national meeting&exposition
    • Place of Presentation
      Boston Convention & Exhibition Center, Boston, MA
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] 酸化還元反応に対するab initio自由エネルギー計算手法の開発2007

    • Author(s)
      館山佳尚、J. Blumberger, 大野隆央, M. Sprik
    • Organizer
      第一回分子科学討論会
    • Place of Presentation
      東北大学、仙台
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] Density-Functional constrained molecular dynamics energy gap(DF-CMD-EG)method for free energy calculation of chemical reactin coupled to electron transfer2007

    • Author(s)
      Y.Tateyama
    • Organizer
      ISSP lnternational Workshop and Symposium on""Foundation and ApphcatioIls of the Density Functional Theory"
    • Place of Presentation
      東京大学
    • Year and Date
      2007-08-01
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] Water addition along with reduction of aqueous ruthenium complexes by ab initio free energy calculation method for bondbreaking/fbrmation coupled to eleCtrOn transfer2007

    • Author(s)
      Y.Tateyama, J.Blumberger, T.Ohno, M.Sprik
    • Organizer
      American Chemical Society234th national meeting & exposition
    • Place of Presentation
      Boston Convention & Exhibition center,USA
    • Year and Date
      2007-08-22
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] Computational electrochemistry:電気化学反応に対する新規第一原理アプローチ2007

    • Author(s)
      館山 佳尚
    • Organizer
      東京大学物性研究所短期研究会「物性科学のフロンティア2007」
    • Place of Presentation
      東京大学物性研究所
    • Year and Date
      2007-11-21
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] DFT/TDDFT計算による励起エネルギー過大評価問題2007

    • Author(s)
      館山佳尚、大塚教雄、L. Bernasconi, M. Sprik
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学、札幌
    • Data Source
      KAKENHI-PROJECT-17064017
  • [Presentation] DFT/TDDFT計算による励起エネルギ-過大評価問題2007

    • Author(s)
      館山 佳尚、大塚 教雄、L.Bemasconi, M.Sprik
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-21
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] 酸化還元反応に対するab initio自由エネルギー計算手法の開発2007

    • Author(s)
      館山佳尚、J.Blumberger, 大野 隆央、M.Sprik
    • Organizer
      第一回分子科学討論会
    • Place of Presentation
      東北大学
    • Year and Date
      2007-09-11
    • Data Source
      KAKENHI-PROJECT-19340077
  • [Presentation] 電子移動に伴う結合開列・形成反応向けの第-原理自由エネルギー計算手法の開発2007

    • Author(s)
      館山 佳尚
    • Organizer
      「次世代ナノ情報機能・材料」成果報告会
    • Place of Presentation
      東京大学小柴ホール
    • Year and Date
      2007-07-13
    • Data Source
      KAKENHI-PROJECT-19340077
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この研究者とORCID iDの連携を行いますか?
※ この処理は、研究者本人だけが実行できます。

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