Tateyama-Ando Group
Laboratory for Chemistry and Life Science (CLS)
Institute of Science Tokyo (Science Tokyo)
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Paper list (2023-)

2025

  1. Bo Gao*, Randy Jalem, Yoshitaka Tateyama*, J. Mater. Chem. A xx, yy-zz (2025). “Ion diffusion driven by dynamic lattice deformations in perovskite solid electrolytes” DOI: 10.1039/D5TA03232F
  2. Shinichi Kumakura, Kei Kubota, Syuhei Sato, Yusuke Miura, Huu Duc Luong, Eun Jeong Kim, Yoshinobu Miyazaki, Tomohiro Saito, Yoshitaka Tateyama, Shinichi Komaba*, Adv. Mater. xx, 2507011 (2025). “Synthesis and Electrochemistry of Stacking Fault-Free β-NaMnO2” [open access] DOI: 10.1002/adma.202507011
    ▶TUS Press Release
    ▶Science Tokyo Press Release
  3. Dan Ito*, Seong-Hoon Jang, Hideo Ando, Toshiyuki Momma, Yoshitaka Tateyama*, J. Am. Chem. Soc. 147, 25441-25453 (2025). “Dissimilar Diffusion Mechanisms of Li+, Na+, and K+ Ions in Anhydrous Fe-Based Prussian Blue Cathode” [open access] DOI: 10.1021/jacs.5c05274
    ▶Science Tokyo Press Release
    ▶JST Press Release
    ▶Press Release List of “Fugaku”
  4. Qianli Si*, Shoichi Matsuda, Yasunobu Ando, Toshiyuki Momma, Yoshitaka Tateyama*, Adv. Sci. 12, 2502336 (2025). “Capacity Estimation and Knee Point Prediction Using Electrochemical Impedance Spectroscopy for Lithium Metal Battery Degradation via Machine Learning” [open access] DOI: 10.1002/advs.202502336

  5. Kei Nishikawa*, Takuya Masuda, Yibin Xu, Yoshitaka Tateyama, Shoichi Matsuda, Shuji Nakanishi, Shotaro Hanada, Yoshiharu Mukouyama, Toshihiko Mandai, Naoaki Kuwata, Tsuyoshi Ohnishi, Kiyoshi Kanamura, Electrochemistry 93, 062003 (2025). “Global Trends in Battery Research and Development: The Contribution of the Center for Advanced Battery Collaboration” DOI: 10.5796/electrochemistry.25-71059

  6. Nataly Carolina Rosero-Navarro*, Haruna Watanabe, Randy Jalem, Maycol Mena, Xinhao Yang, Shota Sugio, Hiroaki Ito, Yoshitaka Tateyama, Akira Miura, Kiyoharu Tadanaga, Electrochim. Acta 528, 146233 (2025). ” Microstructure-controlled Li ion conductive oxide–based ceramic solid electrolytes supporting high current densities” [open access] DOI: 10.1016/j.electacta.2025.146233

  7. Huu Duc Luong*, Zizhen Zhou, Yoshitaka Tateyama*, J. Power Sources 641, 236854 (2025). “Simultaneous migration mechanism of Co-O couple toward spinel-like Co3O4 formation on LixCoO2 surfaces” [open access] DOI: 10.1016/j.jpowsour.2025.236854
  8. Ruijie Zheng, Shigeru Kobayashi*, Mana Ogawa, Hiroto Katsuragawa, Yuki Watanabe, Jun Deng, Ryo Nakayama, Kazunori Nishio, Ryota Shimizu, Yoshitaka Tateyama, Makoto Moriya, Taro Hitosugi*, ACS Appl. Mater. Interfaces 17, 21951-21957 (2025). “Investigating the Interface of Li{N(SO2F)2}(NCCH2CH2CN)2 Molecular Crystal Electrolytes for 5 V Class Solid-State Batteries” DOI: 10.1021/acsami.4c22076
  9. Ryoma Sasaki*, Yoshitaka Tateyama, Debra J. Searles, PRX Energy 4, 013005 (2025). “Constant-Current Nonequilibrium Molecular Dynamics Approach for Accelerated Computation of Ionic Conductivity Including Ion-Ion Correlation” [open access] DOI: 10.1103/PRXEnergy.4.013005
    ▶JST Press Release
    ▶Science Tokyo Press Release
  10. Xiaoni Zhang, Tomoko Fujino, Yasunobu Ando, Yuki Tsujikawa, Tianle Wang, Takeru Nakashima, Haruto Sakurai, Kazuki Yamaguchi, Masafumi Horio, Hatsumi Mori, Jun Yoshinobu, Takahiro Kondo, Iwao Matsuda*, Commun. Chem. 8, 14 (2025). “Discovery of bicyclic borane molecule B14H26” DOI: 10.1038/s42004-025-01409-1
  11. Jingmin Tang, Takeru Nakashima, Masashige Miyamoto, Xiaoni Zhang, Masafumi Horio, Yasunobu Ando, Iwao Matsuda*, e-J. Surf. Sci. Nanotechnol. 23, 59-64 (2025). “Developing a Machine-Learning-based Robotic System for Mixing Solvents” DOI: 10.1380/ejssnt.2025-001
  12. Yasunobu Ando*, Shusuke Kasamatsu, Suguru Iwasaki, Yumi Tanaka, Sci. Technol. Adv. Mater. Meth. 5 2441102 (2025). “Fitting of nonnegative physical models based on statistical divergence: application to thermally stimulated depolarization currents” DOI: 10.1080/27660400.2024.2441102
  13. Yusuke Sato, Yuki Fukaya, Akito Nakano, Takeo Hoshi, Chi-Cheng Lee, Kazuyoshi Yoshimi, Taisuke Ozaki, Takeru Nakashima, Yasunobu Ando, Hiroaki Aoyama, Tadashi Abukawa, Yuki Tsujikawa, Masafumi Horio, Masahito Niibe, Fumio Komori, Iwao Matsuda*, Phys. Rev. Materials 9, 014002 (2025). “Surface structure of the 3×3-Si phase on Al(111), studied by the multiple usages of positron diffraction and core-level photoemission spectroscopy” DOI: 10.1103/PhysRevMaterials.9.014002

2024

  1. Interface Ionics ~For All-Solid-State Batteries and Solid State Ionics Devices~ (The Materials Research Society Series), Eds. Yasutoshi Iriyama, Koji Amezawa, Yoshitaka Tateyama, Naoaki Yabuuchi, Springer Singapore (2024). DOI: https://doi.org/10.1007/978-981-97-6039-8

  2. Feye-Feng Lu, Huu Duc Luong, Seong-Hoon Jang, Randy Jalem, Yoshitaka Tateyama*, Hong-Kang Tian*, J. Power Sources 628, 235906 (2025). ” Dual influence of protonation on Li-ion transport in garnet solid electrolytes: A first-principles study” DOI: 10.1016/j.jpowsour.2024.235906

  3. Kai Kihara, Katsuhiro Nishinari, Yasunobu Ando, Takahiro Ezaki*, Phys. Rev. Res. 6, 043210 (2024). “Solid-electrolyte-inspired totally asymmetric simple exclusion process with parallel channels and random defects” [open access] DOI: 10.1103/PhysRevResearch.6.043210

  4. Seong-Hoon Jang*, Randy Jalem, Yoshitaka Tateyama, Adv. Energy Sustainability Res. “Predicting Room-Temperature Conductivity of Na-Ion Super Ionic Conductors with the Minimal Number of Easily-Accessible Descriptors” DOI: 10.1002/aesr.202400158

  5. 館山　佳尚*, JALEM Randy, 高　博, セラミックス, ５９, １０月号, 679-682（2024). “第一原理計算で見たガーネット型固体電解質の粒界イオン伝導とドーパント効果” (全固体電池の設計ー構造設計と解析ー特集号) [open access] HP: https://member.ceramic.or.jp/journal/vol_no/59/10/59_10.html
  6. Kosuke Kawai, Seong-Hoon Jang, Yuta Igarashi, Koji Yazawa, Kazuma Gotoh, Jun Kikkawa, Atsuo Yamada, Yoshitaka Tateyama, Masashi Okubo*, Angew. Chem. Int. Ed. “Proton Intercalation into an Open-Tunnel Bronze Phase with Near-Zero Volume Change” [open access] DOI:10.1002/anie.202410971
  7. Takahiro Ezaki*, Katsuhiro Nishinari, Yasunobu Ando, Phys. Rev. Res. 6, L032032 (2024). “Diffusion-facilitated transport of self-driven particles in polycrystalline structures” [open access] DOI: 10.1103/PhysRevResearch.6.L032032
  8. Yuki Tsujikawa, Takeru Nakashima, Xiaoni Zhang, Kazuki Yamaguchi, Masafumi Horio, Masahiro Haze, Yukio Hasegawa, Fumio Komori, Takahiro Kondo, Yasunobu Ando, Iwao Matsuda*, Phys. Rev. Mater. 8, 084003 (2024). “Dimensional crossover and chirality of boron adsorbates on copper (110) surfaces” DOI: 10.1103/PhysRevMaterials.8.084003
  9. Tarojiro Matsumura, Naoka Nagamura, Shotaro Akaho, Kenji Nagata, Yasunobu Ando*, Sci. Technol. Adv. Mater. Meth. 4, 2373046 (2024). “Maximum a posteriori estimation for high-throughput peak fitting in X-ray photoelectron spectroscopy” DOI: 10.1080/27660400.2024.2373046
  10. Zizhen Zhou*, Huu Duc Luong, Bo Gao, Toshiyuki Momma, Yoshitaka Tateyama*, ACS Appl. Mater. Interfaces 16, 42093-42099 (2024). “LiNbO3 and LiTaO3 Coating Effects on the Interface of the LiCoO2 Cathode: A DFT Study of Li-Ion Transport” [open access] DOI: 10.1021/acsami.4c05737
  11. Seong-Hoon Jang*, Randy Jalem, Yoshitaka Tateyama, J. Mater. Chem. A 12, 20879-20886 (2024). “Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature” [open access] DOI: 10.1039/d4ta02522a
  12. Kazuki Yamaguchi, Masahito Niibe, Xiaoni Zhang, Toshihide Sumi, Masafumi Horio, Yasunobu Ando, Jun-ichi Yamaura, Eiken Nakamura, Kiyohisa Tanaka, Takahiro Kondo, Iwao Matsuda*, Phys. Rev. Mater. 8, 074005 (2024). “Macroscopic Sheets of Hydrogen Boride and Their Spectroscopic Evaluation”, DOI: 10.1103/PhysRevMaterials.8.074005
  13. Qianli Si, Shoichi Matsuda, Youhei Yamaji, Toshiyuki Momma, Yoshitaka Tateyama*, Adv. Sci., 11, 2402608 (2024).”Data-Driven Cycle Life Prediction of Lithium Metal-Based Rechargeable Battery Based on Discharge/Charge Capacity and Relaxation Features” [open access] DOI: 10.1002/advs.202402608
  14. Takeru Nakashima, Ikuma Tateishi, Yuki Tsujikawa, Masafumi Horio, Takahiro Kondo, Iwao Matsuda, Yasunobu Ando*, Phys. Rev. B 109, 165104 (2024). “Phase stability and band degeneracy of quasi-one-dimensional boron chain polymorphs embedded in LiB crystals” DOI: 10.1103/PhysRevB.109.165104
  15. Kosuke Kawai, Yasunobu Ando, Masashi Okubo*, Small Methods 2024, 2400062 (2024). “Machine Learning‐Assisted Survey on Charge Storage of MXenes in Aqueous Electrolytes” DOI: 10.1002/smtd.202400062
  16. Yuki Tsujikawa, Xiaoni Zhang, Kazuki Yamaguchi, Masahiro Haze, Takeru Nakashima, Arpita Varadwaj, Yusuke Sato, Masafumi Horio, Yukio Hasegawa, Fumio Komori, Masaki Oshikawa, Masato Kotsugi, Yasunobu Ando, Takahiro Kondo, Iwao Matsuda*, Nano Lett. 24, 1160-1167 (2024). “Quasi-Periodic Growth of One-Dimensional Copper Boride on Cu(110)” DOI: 10.1021/acs.nanolett.3c03861
  17. Itsuki Konuma, Naohiro Ikeda, Benoît D.L. Campéon, Hinata Fujimura, Jun Kikkawa, Huu Duc Luong, Yoshitaka Tateyama, Yosuke Ugata, Masao Yonemura, Toru Ishigaki, Taira Aida, Naoaki Yabuuchi*, Energy Storage Mater. 55, 103200 (2024). ” Unified understanding and mitigation of detrimental phase transition in cobalt-free LiNiO2″ [open access] DOI: 10.1016/j.ensm.2024.103200

2023

  1. Zizhen Zhou, Claudio Cazorla, Bo Gao, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama*, ACS Appl. Mater. Interfaces  (2023). “First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO2” [open access] DOI: 10.1021/acsami.3c14444

  2. Randy Jalem, Manas Likhit Holekevi Chandrappa, Ji Qi, Yoshitaka Tateyama, Shyue Ping Ong*, Energy Adv. 2, 2029-2041 (2023).”Lithium dynamics at grain boundaries of β-Li3PS4 solid electrolyte” [open access] DOI: 10.1039/D3YA00234A

  3. Wenchong Zhou, Chenchao Xu, Bo Gao, Masanobu Nakayama, Shunsuke Yagi, Yoshitaka Tateyama*, ACS Energy Lett. 8, 4113-4118 (2023). ” Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery” [open access] DOI: 10.1021/acsenergylett.3c01084
  4. Shigeru Kobayashi, Ryota Shimizu, Yasunobu Ando, Taro Hitosugi*, ACS Materials Lett. 5, 10, 2711–2717 (2023). “Autonomous Exploration of an Unexpected Electrode Material for Lithium Batteries” DOI: /10.1021/acsmaterialslett.3c00350
  5. Randy Jalem*, Yoshitaka Tateyama, Kazunori Takada, Seong-Hoon Jang, J. Phys. Chem. C 127, 17307-17323 (2023). “Multi-objective solid electrolyte design of tetragonal and cubic inverse-perovskites for all-solid-state lithium-ion batteries by high-throughput DFT calculations and AI-driven methods” DOI: 10.1021/acs.jpcc.3c02801
  6. Masahito Ikeda, Randy Jalem*, Gen Hasegawa, Naoaki Kuwata, Qiumin Liu, Takafumi Yamamoto, Kei Shigematsu, Yoshitaka Tateyama, Masaki Azuma*, J. Phys. Chem. C 127, 14117-14124 (2023). “Theoretical Prediction and High-Pressure Synthesis of New LISICON-Type Solid-State Electrolyte Li2.75[B0.625P0.125S0.25]O3.375” DOI: 10.1021/acs.jpcc.3c02842
  7. Yoshitaka Tateyama*, Akiko Kagatsume, Masaru Yao, Shoichi Matsuda, Kohei Uosaki, J. Phys. Chem. C 127, 12867-12873 (2023). “Exploration of Organic Cathode Active Materials with High Energy Densities for Li-Ion Batteries via First-Principles Calculations” DOI: 10.1021/acs.jpcc.3c02131
  8. Seong-Hoon Jang*, Randy Jalem*, Yoshitaka Tateyama, J. Phys. Chem. A 127, 5734-5744 (2023). “EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions” DOI: 10.1021/acs.jpca.3c00076
  9. Toshihiko Mandai*, Masaru Yao, Keitaro Sodeyama, Akiko Kagatsume, Yoshitaka Tateyama, Hiroaki Imai, J. Phys. Chem. C 127, 10419-10433 (2023). “Toward Improved Anodic Stability of Ether-Based Electrolytes for Rechargeable Magnesium Batteries” DOI: 10.1021/acs.jpcc.3c01452
  10. Ryoma Sasaki*, Bo Gao, Taro Hitosugi, Yoshitaka Tateyama*, npj Comput. Mater. 9, 48 (2023). “Nonequilibrium molecular dynamics for accelerated computation of ion–ion correlated conductivity beyond Nernst–Einstein limitation” [open access] DOI: 10.1038/s41524-023-00996-8
  11. Huu Duc Luong, Chenchao Xu, Randy Jalem, Yoshitaka Tateyama*, J. Power Sources 569, 232969 (2023). “Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities” DOI: 10.1016/j.jpowsour.2023.232969
  12. F.A. Vasquez, N.C. Rosero-Navarro*, R. Jalem*, A. Miura, Y. Goto, Y. Tateyama, J.A. Calderon*, K. Tadanaga, Appl. Mater. Today 30, 101697 (2023). “Microwave assisted preparation of LiFePO4/C coated LiMn1.6Ni0.4O4 for Li-ion batteries with superior electrochemical properties” [open access] DOI: 10.1016/j.apmt.2022.101697

  • 招待講演リスト

    2024

    2023

    1.  
    2. TATEYAMA, Yoshitaka. Advanced DFT-MD Study on Ion Transport in Solid Electrolyte: Grain Boundary and Ion Correlation. IUMRS-ICAM & ICMAT, Singapore 2023/06/25-30
    3. TATEYAMA, Yoshitaka. Unravelling the Fast Li-ion Conduction Mechanism in Li(FSA)(SN)2 Molecular Crystal: A Molecular Dynamics Study. 2023 Japan-Taiwan Nano Material and Biomedicine Workshop. NIMS, Tsukuba, Japan, 2023/05/16
    4. 館山 佳尚, 高 博, ハレム ランディ. 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. 日本化学会第103春季年会へ移設シンポジウム　全固体電池のプロセスサイエンス 第2回シンポジウム. 2023/03/23
    5. TATEYAMA, Yoshitaka. Advanced DFT-MD study on Ion Transport in Solid Electrolyte: Grain Boundary and Ion Correlation. Japan-US Information Exchange Seminar on Fundamentals of Next Generation Batteries. NIMS, Tsukuba, Japan, 2023/03/15
    6. TATEYAMA, Yoshitaka. DFT-based studies on “battery” issues. EU-Japan Workshop on High-Performance Computing. online, 2023/01
    7. 館山 佳尚. 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. ｢富岳｣電池課題 第３回公開シンポジウム（成果報告会）. 2023/01/

    2022

    1. 館山 佳尚, ハレム ランディ, 高 博, 佐々木 遼馬. 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. 第83回応用物理学会秋季学術講演会. 2022/09
    2. TATEYAMA, Yoshitaka. Battery Electrolyte Exploration via Machine Learning Techniques Coupled with High-Throughput DFT Calculations. 73rd Annual Meeting of the International Society of Electrochemistry (73rd ISE). online, 2022/09
    3. 館山 佳尚. イオン伝導度の粒子系理論計算の最先端. 第16回固体イオニクスセミナー. online, 2022/08/06
    4. TATEYAMA, Yoshitaka. Electron and Ion Transfer at Solid-Solid Interface : DFT-based Electrochemistry with Explicit Interface Model. 23rd International Conference on Solid State Ionics (SSI-23). Boston, MA, USA, 2022/07/11
    5. 館山 佳尚. ”Naイオン電池開発に向けたマテリアル計算・データ科学研究”,  触媒・電池元素戦略研究拠点 第１９回公開シンポジウム. 2022/03/07
    6. 館山佳尚, “「富岳」「京」を用いた蓄電池内現象の可視化”, 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, スーパーコンピューティング技術産業応用協議会（産応協／ICSCP）, Online, 2022/02/22-24
    7. 館山佳尚, “理論計算による全固体電池の電子・イオン移動の可視化”, 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」, 近畿化学協会コンピュータ化学部会, Online, 2022/02/15
    8. 館山佳尚, “「京」・「富岳」を用いた蓄電池内現象の見える化”, 「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～, 文部科学省　元素戦略プロジェクト＜研究拠点形成型＞, Online, 2022/02/03-04

    2021

    1. Yoshitaka Tateyama, “First-principles MD simulations of reduction/oxidation reactions in electrolyte solutions”, Pacifichem 2021 Chemical Society of Japan, American Chemical Society, Online, 2021/12/16-21
    2. 館山佳尚, “｢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”, 「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, 「富岳」成果創出加速プログラム　物質・材料系課題, オンライン, 2021/12/08-09
    3. 館山佳尚, “触媒・蓄電池内の金属酸化物表面・界面過程の微視的理論”, 第141回フロンティア材料研究所学術講演会, 東京工業大学フロンティア材料研究所, オンライン, 2021/12/06
    4. Yoshitaka Tateyama, “DFT approaches to electron and ion transfer in battery & DFT-based studies on battery issues”, EU-Japan workshop on HPC-based material sciences, RIKEN, オンライン, 2021/11/09-10
    5. 館山佳尚, “第一原理計算”, 電気化学会関東支部第49回先端科学セミナー　電気化学のための計算化学入門, オンライン, 2021/11/08
    6. 館山佳尚, “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”, 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, オンライン, 2021/11/02
    7. Yoshitaka Tateyama, “Ion and Electron Transfer at Interfaces in Solid-state Batteries Via First-principles Calculations”, International Battery Association 2021, ハイブリッド(Xiamen, China & Zoom), 2021/10/25-29
    8. Yoshitaka Tateyama, “DFT study on interfaces in solid state battery via direct interface models”, 3rd WORLD CONFERENCE ON SOLID ELECTROLYTES FOR ADVANCED APPLICATIONS: GARNETS AND COMPETITORS, オンライン, 2021/10/25-27
    9. Yoshitaka Tateyama, “Microscopic Electrochemistry of Ion Transport at Heterogeneous Solid-Solid Interface in Li-Ion Battery”, IUMRS-ICA2021, ハイブリッド(Jeju, South Korea & Zoom), 2021/10/3-8
    10. 館山佳尚, “蓄電池がもたらすグリーン社会”, 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 -, オンライン, 2021/6/23
    11. 館山佳尚, “大規模第一原理計算による全固体電池電解質界面のイオン・電子状態解明”, 日本化学会第101春季年会　コラボレーション企画：文部科学省「富岳」成果創出加速プログラム「富岳電池課題」第1回成果報告会, オンライン, 2021/3/21
    12. 館山佳尚, “不均一系触媒反応の先進的第一原理計算研究”, 日本化学会第101春季年会　中長期テーマシンポジウム　革新的触媒の創製：光や電場などを用いた触媒反応, オンライン, 2021/3/20
    13. Yoshitaka Tateyama, “DFT calculation study on Li metal / LLZO electrolyte interfaces: stability and ion transport”, Interface IONICS online symposium 2021 Spring, Online, 2021/3/9
    14. Yoshitaka Tateyama, “DFT-based understanding of ion transfer at heterogeneous solid-solid interfaces in batteries”, CECAM Flagship Workshop: MATERIALS DESIGN FOR ENERGY STORAGE AND CONVERSION: THEORY AND EXPERIMENT, Online, 2021/3/2-5
    15. Yoshitaka Tateyama, JST e-ASIA: Materials Informatics Workshop, Online, 2021/1/13-14

    2020

    1. 館山佳尚, “全固体電池材料の最新計算・データ科学研究”, 第7回電池材料解析ワークショップ, NIMS/オンライン, 2020/12/11
    2. 館山佳尚, “全固体電池開発に向けた計算・データ科学研究：富岳電池課題の取組”, 第61回電池討論会, オンライン, 2020/11/18-20
    3. 館山佳尚, 電気化学会関東支部第48回先端科学セミナー　電気化学のための計算化学入門, オンライン, 2020/11/10
    4. Yoshitaka Tateyama, “DFT Sampling Studies on Interface Ionics at Heterogeneous Solid-Solid Interfaces in Batteries”, ENGE2020, オンライン, 2020/11/01-04
    5. 館山佳尚, “次世代二次電池・燃料電池開発によるET革命に向けた計算・データ材料科学研究”, 第10回材料系ワークショップ　～「富岳」時代の物質科学シミュレーションの新展開～, オンライン, 2020/10/16
    6. Yoshitaka Tateyama, “Theoretical Analysis of Microscopic Interface Ionics at Heterogeneous Solid-Solid Interfaces in Batteries”, PRiME2020, オンライン, 2020/10/04-09
    7. 館山佳尚, “蓄電池材料・現象の先端的第一原理計算研究”, 電気化学界面シミュレーションコンソーシアム　2020年度第1回研究会, オンライン, 2020/10/02
    8. 石川敦之, “密度汎関数理論と微視的反応速度論を基礎とした触媒活性の理論的予測”, 第126回触媒討論会, オンライン, 2020/09/16-2020/09/18
    9. 館山佳尚, “不均一系触媒によるレドックス反応の理論計算解析”, 日本化学会第100春季年会, 東京理科大学野田キャンパス，野田市，2020/3/22-25
    10. 石川敦之, “第一原理計算と反応速度論による不均一系触媒反応の活性予測”, 日本化学会 第100春季年会, 東京理科大学野田キャンパス, 野田市, 2020/3/22-25
    11. 館山佳尚, “「京」コンピュータを駆使した第一原理MD法による電解液開発支援”, 第4回元素戦略シンポジウム
    12. 東京大学伊藤謝恩ホール, 文京区, 2020/02/03-2020/02/04
    13. 館山佳尚, “「京」を用いた蓄電池の計算科学研究”, 高分子同友会勉強会「新材料の創製（反応、合成、バイオ、触媒、解析、機能等）について勉強する会」（公社）高分子学会会議室, 東京都中央区, 2020/01/28

    2019

    1. 館山佳尚, “第一原理酸化還元反応シミュレーション”, 第33回分子シミュレーション討論会, 名古屋市公会堂, 名古屋市, 2019/12/09-2019/12/11
    2. 館山佳尚, “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”, 第58回玉城嘉十郎教授記念公開学術講演会, 京都大学益川ホール, 京都市, 2019/12/9
    3. Randy Jalem, “DFT and informatics approaches for finding novel solid electrolytes for all-solid-state batteries”, 29th Annual Meeting of MRS-J, Yokohama Media Business Center, Yokohama, 2019/11/27-29
    4. Atsushi Ishikawa, “Density functional theory-based microkinetic analysis of oxidative coupling of methane catalyzed by pure and lithium-doped magnesium oxide”, The 5th EMN Meeting on Computation and Theory, Labourdonnais Waterfront Hotel, Port Louis, Mauritius, 2019/11/26-30
    5. Yoshitaka Tateyama, “Computational and Theoretical Electrochemistry of Li-ion States around Electrode / Solid Electrolyte Interfaces” , 10th Asian Conference on Electrochemical Power Sources 2019 (ACEPS10), Kaohsiung Exhibition Center, Kaohsiung,
    6. 2019/11/24-27
    7. Randy Jalem, “Smart and Data-efficient Exploration of Novel Solid Electrolytes by DFT and Machine Learning”, NIMS WEEK 2019, Tokyo International Forum, Tokyo, 2019/10/30
    8. Yoshitaka Tateyama, “DFT Sampling Studies on Interface Ionics at Disordered Heterogeneous Solid-Solid Interfaces”, 2nd Asian Workshop on First-Principles Electronic structure Calculations (ASIAN-22), Osaka University Hall, Osaka, Japan, 2019/10/28-2019/10/30
    9. Yoshitaka Tateyama, “DFT studies on ionic and electronic states around electrode/solid-electrolyte interfaces via efficient structure search techniques”, 2nd World conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors, Granship, Shizuoka, Japan, 2019/09/24-2019/09/27
    10. 石川敦之, “第一原理計算と反応速度論の融合による触媒活性の理論的予測”, 第124回触媒討論会, 長崎大学文教キャンパス, Nagasaki, 2019/9/18-20
    11. Yoshitaka Tateyama, “DFT sampling approach of interface and surface processes in battery and catalyst” CPMD Meeting 2019, CECAM-HQ-EPFL, Lausanne, 2019/07/22-2019/07/24
    12. 館山佳尚, “第一原理計算からみた蓄電池界面のイオン・電子状態”, 第74回固体イオニクス研究会, 東工大蔵前会館, 目黒区, 2019/07/12
    13. Randy Jalem, “Approaches and Challenges in Finding Promising Novel Solid Electrolytes for All-Solid-State Battery Application by Materials Simulations and Machine Learning Techniques”, 44th NIMS-MADIS Open Seminar Series, NIMS, Tsukuba, 2019/6/27
    14. Yoshitaka Tateyama, “DFT Studies on Li-Ions Around Electrode-Solid Electrolyte Interfaces via Efficient Structure Search Techniques”, 2019 MRS Spring Meeting and Exhibit, Phoenix Convention Center, Phoenix, 2019/04/22-2019/04/26
    15. 石川敦之, 館山佳尚, “第一原理計算と反応速度論による触媒活性および選択性の予測”, 次世代ESICBセミナー2019-1, Kyoto University Katsura Campus, Kyoto, 2019/3/8
    16. Yoshitaka Tateyama, “Theoretical Study on Redox Reactions at Boron-Doped Diamond / Water Interfaces”, JST-ACCEL symposium “Fundamentals and Applications of Diamond Electrodes”, Keio University Hiyoshi Campus, Yokohama, Japan, 2019/03/06
    17. Randy Jalem, “Computational battery materials research by DFT and data science techniques”, 34th Computational Materials Design (CMD) Workshop, Graduate School of Engineering Science, Osaka, 2019/2/22
    18. Yoshitaka Tateyama, “First -principles sampling simulation approaches to battery science and thechnology”, The 1st R-CCS International Symposium, Kobe Convention Center, Kobe, Japan, 2019/02/18-2019/02/19
    19. Yoshitaka Tateyama, “DFT sampling approaches to microscopic interfacial processes in batteries and catalysts” Computational Sciences Workshop 2019 (CSW2019), Tokyo, 2019/01/16-2019/01/18

    2018

    1. Randy Jalem, “All-Solid-State Battery Materials Search Using Materials Simulations and Bayesian Optimization (材料シミュレーションとベイズ最適化を用いた全固体電池材料の探索)”, Computer Simulation of Energy (CSE) 5th Open Symposium, 北海道大学フロンティア化学教育研究センター, Sapporo, 2018/12/12
    2. 館山佳尚, “電池界面イオニクスに関する第一原理統計サンプリング研究”, 2018年日本表面真空学会学術講演会, 神戸国際会議場, 2018/11/19-2018/11/21
    3. Yoshitaka Tateyama, “DFT Sampling Calculation Studies on Electrode / Electrolyte Interfaces in Li Ion Batteries”, 12th Japan-France Joint Seminar on Batteries, Nagaragawa International Conference Center, Gifu, 2018/09/19-2018/09/21
    4. Randy Jalem, “Insights from Computational Modeling and Experiment on the Ionic Diffusion and Electrochemical Stability of Garnet-Type Oxide Electrolytes for All-Solid-State Lithium Ion Batteries”, 12th Japan-France Battery Seminar, Nagaragawa International Conference Center, Gifu, 2018/9/19-21
    5. Yoshitak Tateyama, “Interfacial ionics and electronics in battery and catalyst”, Simulations (and theory) in Physical chemistRy: an International Kermesse in Paris, Ecole Normale Superieure, Paris, France, 2018/05/28 – 29
    6. Randy Jalem, “Insights from Computational Modeling and Experiments on the Li-Ion Dynamics and Electrochemical Stability of Garnet-Based Solid Electrolytes”, 233rd ECS Meeting, Washington State Convention Center, Seattle, USA, 2018/5/13-17
    7. Yoshitak Tateyama, J. Haruyama, K. Sodeyama, “First-Principles Study on the Microscopic Origin of Interfacial Resistance between Oxide Cathode and Sulfide Electrolyte in All Solid State Battery”, 2018 MRS Spring meeting & Exhibit (EN01 symposium), Phoenix Convention Center, Phoenix, AZ, USA, 2018/04/02-06
    8. Keitaro Sodeyama, Yoshitak Tateyama, “DFT-MD study on interfacial ion transport between graphite anode and amorphous lithium carbonate”, 2018 MRS Spring meeting & Exhibit (EN01 symposium), Phoenix Convention Center, Phoenix, AZ, USA, 2018/04/02-06

    2016～2017

    • Yoshitaka Tateyama, “DFT molecular dynamics sampling studies on battery phenomena and materials on the atomic-scale”, 4th International Conference on Advanced Electromaterials, Ramada Plaza Hotel Jeju, Jeju, Korea, 2017/11/21-24
    • Yoshitaka Tateyama, “Solid-Liquid and Solid-Solid Interfaces in Batteries and Catalysts: Computational Explorations”, 8th International Symposium on Surface Science, EPOCHAL, Tsukuba, Japan, 2017/10/23-26