[論文] | [書籍] | [会議録] | [口頭発表] | [その他の文献] | [公開特許出願]
論文 TSV
2024
- Jun Nakanishi, Takeshi Ueki, Sae Dieb, Hidenori Noguchi, Shota Yamamoto, Keitaro Sodeyama. Data-driven optimization of the in silico design of ionic liquids as interfacial cell culture fluids. Science and Technology of Advanced Materials. 25 [1] (2024) 2418287 10.1080/14686996.2024.2418287 Open Access
- Ryo Tamura, Kenji Nagata, Keitaro Sodeyama, Kensaku Nakamura, Toshiki Tokuhira, Satoshi Shibata, Kazuki Hammura, Hiroki Sugisawa, Masaya Kawamura, Teruki Tsurimoto, Masanobu Naito, Masahiko Demura, Takashi Nakanishi. Machine learning prediction of the mechanical properties of injection-molded polypropylene through X-ray diffraction analysis. Science and Technology of Advanced Materials. (2024) 2388016 10.1080/14686996.2024.2388016 Open Access
- Yuta Shuseki, Shinji Kohara, Tomoaki Kaneko, Keitaro Sodeyama, Yohei Onodera, Chihiro Koyama, Atsunobu Masuno, Shunta Sasaki, Shohei Hatano, Motoki Shiga, Ippei Obayashi, Yasuaki Hiraoka, Junpei T. Okada, Akitoshi Mizuno, Yuki Watanabe, Yui Nakata, Koji Ohara, Motohiko Murakami, Matthew G. Tucker, Marshall T. McDonnell, Hirohisa Oda, Takehiko Ishikawa. Atomic and Electronic Structure in MgO–SiO2. The Journal of Physical Chemistry A. 128 [4] (2024) 716-726 10.1021/acs.jpca.3c05561 Open Access
2023
- Sae Dieb, Yoshiaki Toda, Keitaro Sodeyama, Masahiko Demura. Machine learning-assisted determination of material chemical compositions: a study case on Ni-base superalloy. Science and Technology of Advanced Materials: Methods. 3 [1] (2023) 2278321 10.1080/27660400.2023.2278321 Open Access
- Yasuyuki Nakamura, Alice Gros, Wenhao Zhang, Keitaro Sodeyama, Masanobu Naito. Exception search in databases for polymers with practically contradictory properties of heat resistance and transparency. Polymer Chemistry. 14 [33] (2023) 3881-3887 10.1039/d3py00565h Open Access
- Toshihiko Mandai, Masaru Yao, Keitaro Sodeyama, Akiko Kagatsume, Yoshitaka Tateyama, Hiroaki Imai. Toward Improved Anodic Stability of Ether-Based Electrolytes for Rechargeable Magnesium Batteries. The Journal of Physical Chemistry C. 127 [22] (2023) 10419-10433 10.1021/acs.jpcc.3c01452 Open Access
- Tomoaki Kaneko, Yui Fujihara, Hiroaki Kobayashi, Keitaro Sodeyama. First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface. Applied Surface Science. 613 (2023) 156065 10.1016/j.apsusc.2022.156065 Open Access
2022
- Koki Obinata, Tomofumi Nakayama, Atsushi Ishikawa, Keitaro Sodeyama, Kenji Nagata, Yasuhiko Igarashi, Masato Okada. Data integration for multiple alkali metals in predicting coordination energies based on Bayesian inference. Science and Technology of Advanced Materials: Methods. 2 [1] (2022) 355-364 10.1080/27660400.2022.2108353 Open Access
- Shoichi Matsuda, Guillaume Lambard, Keitaro Sodeyama. Data-driven automated robotic experiments accelerate discovery of multi-component electrolyte for rechargeable Li–O2 batteries. Cell Reports Physical Science. 3 [4] (2022) 100832 10.1016/j.xcrp.2022.100832 Open Access
- G. Lambard, T.T. Sasaki, K. Sodeyama, T. Ohkubo, K. Hono. Optimization of direct extrusion process for Nd-Fe-B magnets using active learning assisted by machine learning and Bayesian optimization. Scripta Materialia. 209 (2022) 114341 10.1016/j.scriptamat.2021.114341 Open Access
- Towhid H. Chowdhury, Ryuji Kaneko, Tomoaki Kaneko, Keitaro Sodeyama, Jae-Joon Lee, Ashraful Islam. Electronic defect passivation of FASnI3 films by simultaneous Hydrogen-bonding and chlorine co-ordination for highly efficient and stable perovskite solar cells. Chemical Engineering Journal. 431 (2022) 133745 10.1016/j.cej.2021.133745
2021
- Ekaterina Gracheva, Guillaume Lambard, Sadaki Samitsu, Keitaro Sodeyama, Ayako Nakata. Prediction of the coefficient of linear thermal expansion for the amorphous homopolymers based on chemical structure using machine learning. Science and Technology of Advanced Materials: Methods. 1 [1] (2021) 213-224 10.1080/27660400.2021.1993729 Open Access
2020
- Feilure Tuerxun, Kentaro Yamamoto, Masashi Hattori, Toshihiko Mandai, Koji Nakanishi, Ashu Choudhary, Yoshitaka Tateyama, Keitaro Sodeyama, Aiko Nakao, Tomoki Uchiyama, Masaki Matsui, Kazuki Tsuruta, Yusuke Tamenori, Kiyoshi Kanamura, Yoshiharu Uchimoto. Determining Factor on the Polarization Behavior of Magnesium Deposition for Magnesium Battery Anode. ACS Applied Materials & Interfaces. 12 [23] (2020) 25775-25785 10.1021/acsami.0c03696
- Takeshi Baba, Keitaro Sodeyama, Yoshiumi Kawamura, Yoshitaka Tateyama. Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase: ab initio molecular dynamics study. Physical Chemistry Chemical Physics. 22 [19] (2020) 10764-10774 10.1039/c9cp06608j
2019
- Sirawit Pruksawan, Guillaume Lambard, Sadaki Samitsu, Keitaro Sodeyama, Masanobu Naito. Prediction and optimization of epoxy adhesive strength from a small dataset through active learning. Science and Technology of Advanced Materials. 20 [1] (2019) 1010-1021 10.1080/14686996.2019.1673670 Open Access
- Atsushi Ishikawa, Keitaro Sodeyama, Yasuhiko Igarashi, Tomofumi Nakayama, Yoshitaka Tateyama, Masato Okada. Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents. Physical Chemistry Chemical Physics. 21 [48] (2019) 26399-26405 10.1039/c9cp03679b Open Access
- Yukihiro Okuno, Keisuke Ushirogata, Keitaro Sodeyama, Ganes Shukri, Yoshitaka Tateyama. Structures, Electronic States, and Reactions at Interfaces between LiNi0.5Mn1.5O4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study. The Journal of Physical Chemistry C. 123 [4] (2019) 2267-2277 10.1021/acs.jpcc.8b10625
2018
- Masashi Hattori, Kentaro Yamamoto, Masaki Matsui, Koji Nakanishi, Toshihiko Mandai, Ashu Choudhary, Yoshitaka Tateyama, Keitaro Sodeyama, Tomoki Uchiyama, Yuki Orikasa, Yusuke Tamenori, Tatsuya Takeguchi, Kiyoshi Kanamura, Yoshiharu Uchimoto. Role of Coordination Structure of Magnesium Ions on Charge and Discharge Behavior of Magnesium Alloy Electrode. The Journal of Physical Chemistry C. 122 [44] (2018) 25204-25210 10.1021/acs.jpcc.8b08558
- Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Eriko Watanabe, Koji Takada, Yoshitaka Tateyama, Atsuo Yamada. Fire-extinguishing organic electrolytes for safe batteries. Nature Energy. 3 [1] (2018) 22-29 10.1038/s41560-017-0033-8
2017
- Jun Haruyama, Keitaro Sodeyama, Ikutaro Hamada, Liyuan Han, Yoshitaka Tateyama. First-Principles Study of Electron Injection and Defects at the TiO2/CH3NH3PbI3 Interface of Perovskite Solar Cells. The Journal of Physical Chemistry Letters. 8 [23] (2017) 5840-5847 10.1021/acs.jpclett.7b02622
- 館山 佳尚, 袖山 慶太郎, 後瀉敬介, 奥野幸洋. 2次電池の固液界面・電解液反応の第一原理サンプリング解析. 固体物理. 52 [11] (2017) 605-615
- Koji Takada, Yuki Yamada, Eriko Watanabe, Jianhui Wang, Keitaro Sodeyama, Yoshitaka Tateyama, Kazuhisa Hirata, Takeo Kawase, Atsuo Yamada. Unusual Passivation Ability of Superconcentrated Electrolytes toward Hard Carbon Negative Electrodes in Sodium-Ion Batteries. ACS Applied Materials & Interfaces. 9 [39] (2017) 33802-33809 10.1021/acsami.7b08414
- Satoshi Kajiyama, Lucie Szabova, Hiroki Iinuma, Akira Sugahara, Kazuma Gotoh, Keitaro Sodeyama, Yoshitaka Tateyama, Masashi Okubo, Atsuo Yamada. Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination. Advanced Energy Materials. 7 [9] (2017) 1601873 10.1002/aenm.201601873
- Martin Callsen, Keitaro Sodeyama, Zdeněk Futera, Yoshitaka Tateyama, Ikutaro Hamada. The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics. The Journal of Physical Chemistry B. 121 [1] (2017) 180-188 10.1021/acs.jpcb.6b09203
- Jun Haruyama, Keitaro Sodeyama, Yoshitaka Tateyama. Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/Sulfide Electrolyte Interface in a Solid-State Battery. ACS Applied Materials & Interfaces. 9 [1] (2017) 286-292 10.1021/acsami.6b08435
2016
- Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Ching Hua Chiang, Yoshitaka Tateyama, Atsuo Yamada. Superconcentrated electrolytes for a high-voltage lithium-ion battery. Nature Communications. 7 [1] (2016) 12032 10.1038/ncomms12032 Open Access
- Yuki Yamada, Kenji Usui, Keitaro Sodeyama, Seongjae Ko, Yoshitaka Tateyama, Atsuo Yamada. Hydrate-melt electrolytes for high-energy-density aqueous batteries. Nature Energy. 1 [10] (2016) 10.1038/nenergy.2016.129
- Yusuke Ootani, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama. First-principles study on the cosensitization effects of Ru and squaraine dyes on a TiO2 surface. Surface Science. 649 (2016) 66-71 10.1016/j.susc.2016.01.025
- Satoshi Kajiyama, Lucie Szabova, Keitaro Sodeyama, Hiroki Iinuma, Ryohei Morita, Kazuma Gotoh, Yoshitaka Tateyama, Masashi Okubo, Atsuo Yamada. Sodium-Ion Intercalation Mechanism in MXene Nanosheets. ACS Nano. 10 [3] (2016) 3334-3341 10.1021/acsnano.5b06958
- Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama. Surface Properties of CH3NH3PbI3 for Perovskite Solar Cells. Accounts of Chemical Research. 49 [3] (2016) 554-561 10.1021/acs.accounts.5b00452
- Yukihiro Okuno, Keisuke Ushirogata, Keitaro Sodeyama, Yoshitaka Tateyama. Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study. Physical Chemistry Chemical Physics. 18 [12] (2016) 8643-8653 10.1039/c5cp07583a
- J. Scheers, D. Lidberg, K. Sodeyama, Z. Futera, Y. Tateyama. Life of superoxide in aprotic Li–O2 battery electrolytes: simulated solvent and counter-ion effects. Physical Chemistry Chemical Physics. 18 [15] (2016) 9961-9968 10.1039/c5cp08056h
2015
- Yuki Yamada, Ching Hua Chiang, Keitaro Sodeyama, Jianhui Wang, Yoshitaka Tateyama, Atsuo Yamada. Corrosion Prevention Mechanism of Aluminum Metal in Superconcentrated Electrolytes. ChemElectroChem. 2 [11] (2015) 1687-1694 10.1002/celc.201500235
- Keisuke Ushirogata, Keitaro Sodeyama, Zdenek Futera, Yoshitaka Tateyama, Yukihiro Okuno. Near-Shore Aggregation Mechanism of Electrolyte Decomposition Products to Explain Solid Electrolyte Interphase Formation. Journal of The Electrochemical Society. 162 [14] (2015) A2670-A2678 10.1149/2.0301514jes
- Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama. First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers. Journal of the American Chemical Society. 137 [32] (2015) 10048-10051 10.1021/jacs.5b03615
- Yusuke Ootani, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama. Possibility of NCS Group Anchor for Ru Dye Adsorption to Anatase TiO2(101) Surface: A Density Functional Theory Investigation. The Journal of Physical Chemistry C. 119 [1] (2015) 234-241 10.1021/jp5075434
2014
- Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama. Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells. The Journal of Physical Chemistry Letters. 5 [16] (2014) 2903-2909 10.1021/jz501510v
- Zdenek Futera, Keitaro Sodeyama, Jaroslav V. Burda, Yasuaki Einaga, Yoshitaka Tateyama. A double-QM/MM method for investigating donor–acceptor electron-transfer reactions in solution. Phys. Chem. Chem. Phys.. 16 [36] (2014) 19530-19539 10.1039/c4cp02307b
- Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Kazunori Takada, Yoshitaka Tateyama. Space–Charge Layer Effect at Interface between Oxide Cathode and Sulfide Electrolyte in All-Solid-State Lithium-Ion Battery. Chemistry of Materials. 26 [14] (2014) 4248-4255 10.1021/cm5016959
- Keitaro Sodeyama, Yuki Yamada, Koharu Aikawa, Atsuo Yamada, Yoshitaka Tateyama. Sacrificial Anion Reduction Mechanism for Electrochemical Stability Improvement in Highly Concentrated Li-Salt Electrolyte. The Journal of Physical Chemistry C. 118 [26] (2014) 14091-14097 10.1021/jp501178n
- Wim Van Rossom, Tatyana G. Terentyeva, Keitaro Sodeyama, Yoshitaka Matsushita, Yoshitaka Tateyama, Katsuhiko Ariga, Jonathan P. Hill. Arylpyrrole oligomers as tunable anion receptors. Org. Biomol. Chem.. 12 [29] (2014) 5492-5499 10.1039/c4ob00357h
- Yuki Yamada, Keizo Furukawa, Keitaro Sodeyama, Keisuke Kikuchi, Makoto Yaegashi, Yoshitaka Tateyama, Atsuo Yamada. Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries. Journal of the American Chemical Society. 136 [13] (2014) 5039-5046 10.1021/ja412807w
- Masayuki Ochi, Keitaro Sodeyama, Shinji Tsuneyuki. Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators. The Journal of Chemical Physics. 140 [7] (2014) 074112 10.1063/1.4865500
2013
- Tomoki Kobori, Keitaro Sodeyama, Takao Otsuka, Yoshitaka Tateyama, Shinji Tsuneyuki. Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules. The Journal of Chemical Physics. 139 [9] (2013) 094113 10.1063/1.4818599
- Keisuke Ushirogata, Keitaro Sodeyama, Yukihiro Okuno, Yoshitaka Tateyama. Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery. Journal of the American Chemical Society. 135 [32] (2013) 11967-11974 10.1021/ja405079s
- Chuanjiang Qin, Youhei Numata, Shufang Zhang, Ashraful Islam, Xudong Yang, Keitaro Sodeyama, Yoshitaka Tateyama, Liyuan Han. A Near-Infraredcis-Configured Squaraine Co-Sensitizer for High-Efficiency Dye-Sensitized Solar Cells. Advanced Functional Materials. 23 [30] (2013) 3782-3789 10.1002/adfm.201203384
- Youhei Numata, Ashraful Islam, Keitaro Sodeyama, Zhen-Hua Chen, Yoshitaka Tateyama, Liyuan Han. Substitution effects of Ru–terpyridyl complexes on photovoltaic and carrier transport properties in dye-sensitized solar cells. Journal of Materials Chemistry A. 1 [36] (2013) 11033 10.1039/c3ta12152f
- Masato Sumita, Keitaro Sodeyama, Ryota Jono, Liyuan Han, Yoshitaka Tateyama. Electronic structure of acetonitrile adsorbed on the anatase TiO2 (101) surface. Chemical Physics Letters. 556 (2013) 225-229 10.1016/j.cplett.2012.11.060
2012
- Kun Zhang, Shufang Zhang, Keitaro Sodeyama, Xudong Yang, Han Chen, Masatoshi Yanagida, Yoshitaka Tateyama, Liyuan Han. A New Factor Affecting the Performance of Dye-Sensitized Solar Cells in the Presence of 4-tert-Butylpyridine. Applied Physics Express. 5 [4] (2012) 042303 10.1143/apex.5.042303
- Keitaro Sodeyama, Masato Sumita, Conn O’Rourke, Umberto Terranova, Ashraful Islam, Liyuan Han, David R. Bowler, Yoshitaka Tateyama. Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface. The Journal of Physical Chemistry Letters. 3 [4] (2012) 472-477 10.1021/jz201583n
2011
- Masato Sumita, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama. Water Contamination Effect on Liquid Acetonitrile/TiO2 Anatase (101) Interface for Durable Dye-Sensitized Solar Cell. The Journal of Physical Chemistry C. 115 [40] (2011) 19849-19855 10.1021/jp206910f
書籍 TSV
2024
- 岩﨑 悠真, 袖山 慶太郎. マテリアルインフォマティクス. データサイエンスはじめの一歩. 株式会社講談社, 2024, 7.
2017
- 館山 佳尚, 袖山 慶太郎, 後瀉敬介, 奥野幸洋. 2次電池の固液界面・電解液反応の第一原理サンプリング解析. 固体物理. , 2017, 605-615.
会議録 TSV
口頭発表 TSV
2024
- 西口 昭広, パライ デバブラタ, 伊藤 椎真, 森 健作, 袖山 慶太郎, 田口 哲志. 組織リモデリングを促進する生分解性液体血管塞栓剤の開発. 第73回高分子学会討論会. 2024
- 中西 淳, 上木 岳士, ディーブ 冴, 野口 秀典, 山本 翔太, 袖山 慶太郎. イオン液体培養足場の開発とデータ科学を用いた展開. 日本分析化学会第73年会. 2024
- 村上 諒, 佐々木 泰祐, 吉川 英樹, 袖山 慶太郎, 大久保 忠勝, 篠塚 寛志, 永田 賢二, 松下 能孝. Bayesianピークトップ フィッティング法を用いたX線回折データからのML対応ピーク特徴テーブルの迅速かつ堅牢な構築. 第11回領域会議 文部科学省科学研究費助成事業 新学術領域研究(ハイパーマテリアル). 2024
2023
- ISHII, Masashi, SASAKI, Taisuke, TAKAHASHI, Yukiko, SODEYAMA, Keitaro, OHKUBO, Tadakatsu. Material ontology-based data linkage in “Data Creation and Utilization-Type Material Research and Development Project (DxMT)": Approach from Magnetic Materials Research. MRM 2023. 2023
- 安藤 嘉倫, 名倉 和彦, 中西 尚志, 袖山 慶太郎. 分子動力学計算と機械学習による機能性分子液体材料の特異な粘性挙動の解明. 第37回分子シミュレーション討論会. 2023
- 袖山 慶太郎. データ創出・活用型磁性材料研究拠点における材料研究DXの取り組み. マテリアル戦略総合シンポジウム2023(MatISS2023). 2023 招待講演
- Yoshihiro Chida, DIEB Sae, SODEYAMA Keitaro, Hiraku Masui, Arata Umehara, Naoto Todoroki, Toshimasa Wadayama. 白金-ハイエントロピー合金単結晶表面系の酸素還元反応特性:機械学習による合成条件検討. 第64回電池討論会. 2023
- 小原 真司, 手跡雄太, 金子智昭, 袖山 慶太郎, 小野寺陽平, 小山千尋, 増野敦信, 志賀元紀, 岡田純平, 水野章敏, 渡邊勇基, 仲田結衣, 尾原幸治, 織田裕久, 石川毅彦. 高温酸化物融体の構造と物性. 日本マイクログラビティ応用学会 第35回学術講演会 (JASMAC-35). 2023
- DIEB, Sae, FOPPIANO, Luca, SODEYAMA, Keitaro, Tanifuji Mikiko. Creating a Visual Topic Map for Battery Researchers using a Large Global Open Dataset. 244 ECS meeting. 2023
- DIEB, Sae, FOPPIANO, Luca, SODEYAMA, Keitaro, Tanifuji Mikiko. Visual Topic Mapping for Battery Related Research using a Global Open Catalog. The 84th JSAP fall meeting 2023 2023年第84回応用物理学会秋季学術講演会. 2023
- 中村 泰之, グロ アリス ゆき子, 張 文昊, 袖山 慶太郎, 内藤 昌信. データベースでの例外的探索を利用した高分子材料開発の実践: 耐熱透明高分子の探索. 第72回高分子学会年次大会. 2023
- Masaru Kato, Colin Tadgell, DIEB Sae, Takahito Hoshi, SODEYAMA Keitaro, Ichizo Yagi. アクティブラーニングによる非白金水素酸化触媒の開発. The 90th Annual Meeting of the Electrochemical Society in Japan 電気化学会第90回大会. 2023
2022
- 手跡 雄太, 金子 智昭, 袖山 慶太郎, 小野寺陽平, 小山千尋, 増野敦信, 志賀元紀, 岡田純平, 水野章敏, 渡邊勇基, 仲田結衣, 尾原幸治, 織田裕久, 石川毅彦, 小原 真司. MgO–SiO2系液体・ガラスの構造物性研究. 日本セラミックス協会 第63回ガラスおよびフォトニクス材料討論会. 2022
- 金子 智昭, 袖山 慶太郎. 第一原理分子動力学法を用いたスルホラン電解液とLi金属電極界面の反応解析. 第63回電池討論会. 2022
- DIEB, Sae, SODEYAMA, Keitaro, TANIFUJI, Mikiko. Visualization of Materials Science Topics in Publications of Institutional Repository using Natural Language Processing. 1st International Conference on FAIR Digital Objects. 2022 招待講演
- DIEB, Sae, SODEYAMA, Keitaro, TANIFUJI, Mikiko. Creating visual research topic map for materials science publications using natural language processing (NLP). 11th International Workshop on Combinatorial Materials Science and Technology. 2022
- 手跡 雄太, 金子 智昭, 袖山 慶太郎, 小野寺陽平, 小山千尋, 増野敦信, 志賀元紀, 岡田純平, 水野章敏, 渡邊勇基, 仲田結衣, 尾原幸治, 織田裕久, 石川毅彦, 小原 真司. 宇宙実験・量⼦ビーム実験・コンピュータシミュレーショ ンによるMgO–SiO2系ガラス・液体の構造物性研究. 日本マイクログラビティ応用学会 第34回学術講演会 (JASMAC-34). 2022
- 手跡 雄太, 金子 智昭, 袖山 慶太郎, 小野寺 陽平, 小山千尋, 増野 敦信, 志賀元紀, 岡田純平, 水野章敏, 渡邊勇基, 仲田結衣, 尾原幸治, 織田裕久, 石川毅彦, 小原 真司. 量子ビーム実験と計算機実験によるMgO−SiO系ガラス・高温融体の構造解析. 日本セラミックス協会 第35回秋季シンポジウム. 2022
2021
- 小原 真司, 金子 智昭, 袖山 慶太郎, 小野寺陽平, 小山 千尋, 増野 敦信, 志賀 元紀, 岡田 純平, 水野 章敏, 渡邊 勇基, 仲田 結衣, 尾原 幸治, 織田 裕久, 石川 毅彦. 量子ビーム回折実験、熱物性計測、コンピューターシミュレーションによる高温酸化物液体の構造物性研究. 第62回ガラスおよびフォトニクス材料討論会. 2021
- 袖山 慶太郎. マテリアルズ・インフォマティクスを用いた永久磁石材料の開発. 日本金属学会 第168回講演大会 https://confit.atlas.jp/guide/event/jim2021spring/top. 2021 招待講演
- 袖山 慶太郎. マテリアルズ・インフォマティクスによる蓄電池用電解液材料探索. 計算科学研究センター・ナノテクノロジープラットフォーム事業合同ワークショップ https://ccportal.ims.ac.jp/workshop2020. 2021 招待講演
2020
- 袖山 慶太郎. マテリアルズ・インフォマティクスによるリチウムイオン電池の電解液材料探索. 有機エレクトロニクス研究会 https://member.spsj.or.jp/event/index.php?id=193. 2020 招待講演
- 館山 佳尚, 袖山 慶太郎. 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. 第61回電池討論会. 2020
- 野村 奈央, 李 尚霖, 宇賀田 洋介, 多々良 涼一, 劉 佳麗, KANEKO, Tomoaki, SODEYAMA, Keitaro, MANDAI, Toshihiko, 上野 和英, 獨古 薫, 渡邉 正義. Strategy and Issue for Li-S Batteries with High Energy Density. PRiME2020. 2020
2019
- CHOUDHARY, Ashu, SODEYAMA, Keitaro, TATEYAMA, Yoshitaka. Effects of Magnesium-Organo-Haloaluminate complex in Magnesium Ion Battery Electrolytes: A Car-Parrinello Molecular Dynamics Study. Materials Research Meeting 2019 (MRM2019). 2019
- SUN, Yang, SODEYAMA, Keitaro, Yuki Yamada, TATEYAMA, Yoshitaka, Atsuo Yamada. Lithium Diffusion Mechanism in Highly Concentrated Electrolytes via First-Principles Molecular Dynamics Sampling. Materials Research Meeting 2019 (MRM2019). 2019
- 袖山 慶太郎, 館山 佳尚, 万代 俊彦, 金村 聖志. 弱配位性アニオンを有するMg系電解液の電気化学特性. 第60回電池討論会. 2019
- CHOUDHARY, Ashu, SODEYAMA, Keitaro, TATEYAMA, Yoshitaka. Effects of Magnesium-Organo-Haloaluminate complex in Magnesium Ion Battery electrolytes: A Car-Parrinello Molecular Dynamics (CPMD) Study. CPMD Meeting 2019. 2019
- 袖山 慶太郎. First-principles molecular dynamics study for SEI film formation mechanism of lithium ion batteries. ACS Spring 2019 National meeting. 2019 招待講演
- 小原 真司, 小野寺 陽平, 水野章敏, 田原 周太, 小山千尋, 田丸晴香, 増野 敦信, 織田裕久, 仲田結衣, 渡邊勇基, 尾原幸治, 小林正人, 袖山 慶太郎, 志賀元紀, 村上元彦, 正木匡彦, J. K. R. Weber, 石川毅彦, 坂田 修身, 岡田純平. 量子ビーム実験・宇宙実験・データ駆動型構造モデリングの協奏によるガラス・超高温融体の構造物性研究. 第 5 回放射光連携研究ワークショップ. 2019 招待講演
2018
- CHOUDHARY, Ashu, SODEYAMA, Keitaro, TATEYAMA, Yoshitaka. Revisiting Grignard reagent based electrolytes in magnesium-ion battery : a first-principles study. ポスト「京」重点課題5 第5回公開シンポジウム. 2018
- 渡部絵里子, 袖山 慶太郎, 山田裕貴, 館山 佳尚, 山田淳夫. 第一原理MD計算によるナトリウムイオン電池用高濃度電解液の電子状態解析. 第59回電池討論会. 2018
- 万代俊彦, 宗健也, 袖山 慶太郎, 館山 佳尚, 金村聖志. In situ FT-IR法を用いたROMgCl/Mg(TFSA)2/G3電解液の動的Mg析出溶解挙動の分析. 第59回電池討論会. 2018
- NAKATA, Ayako, MIYAZAKI, Tsuyoshi, SODEYAMA, Keitaro. Large-Scale First-Principles Simulation on Li-Intercalated Graphite. AMERICAS INTERNATIONAL MEETING ON ELECTROCHEMISTRY AND SOLID STATE SCIENCE 2018. 2018
- 中山 将伸, 館山 佳尚, 袖山 慶太郎. Mi2i蓄電池グループグループ紹介と最近の活動報告. 第7回MI2Iフォーラム. 2018
- TATEYAMA, Yoshitaka, SODEYAMA, Keitaro. DFT-MD studies on processes at interfaces of organic electrolyte, SEI film and graphite anode. 69th Annual Meeting of the International Society of Electrochemistry. 2018
- チョーダリー アシュ, 袖山 慶太郎, 館山 佳尚. Grignard Reagent Based Electrolytes in Magnesium-Ion Battery : A First-Principles Study. 19th International Meeting on Lithium Batteries. 2018
- TATEYAMA, Yoshitaka, 奥野幸洋, 後瀉敬介, SODEYAMA, Keitaro. First-Principles Study on Adsorption and Decomposition of Carbonate Electrolyte Molecules at LiNi0.5Mn1.5O4 Cathode Interface. 19th International Meeting on Lithium Batteries (IMLB2018). 2018
- 館山 佳尚, 春山潤, 袖山 慶太郎. 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. 2018
- チョーダリー アシュ, 袖山 慶太郎, 館山 佳尚. Revisiting Grignard reagent based electrolytes in magnesium-ion battery : a first-principles study. International Battery Association 2018. 2018
2017
- チョーダリー アシュ, 袖山 慶太郎, 館山 佳尚. Computational Study on Electrolytes based on Grignard Reagents for Magnesium-Ion Battery. ポスト「京」重点課題5 第4回公開シンポジウム. 2017
- 奥野 幸洋, 後瀉 敬介, 袖山 慶太郎, 館山 佳尚. Ab Initio Study on Adsorption Structure and Decomposition Reactions of Electrolytes on the LiNi0.5Mn1.5O4. Car-Parrinello Molecular Dynamics in 2017 (CPMD2017). 2017
- 石川 敦之, 袖山 慶太郎, 館山 佳尚. NO + CO Reaction on Rh Surface: DFT Investigation Combined with Microkinetic Analysis. Car-Parrinello Molecular Dynamics in 2017. 2017
- チョーダリー アシュ, 袖山 慶太郎, 館山 佳尚. Car-Parrinello Molecular Dynamics (CPMD) Study on Electrolytes based on Grignard Reagents for Magnesium-Ion Battery. Car-Parrinello Molecular Dynamics in 2017. 2017
- 館山 佳尚, 春山潤, 袖山 慶太郎. First-Principles study on interfaces between sulfide electrolyte and cathode in all solid-state battery. Platform for Advanced Scientific Computing Conference (PASC17). 2017
- 館山 佳尚, 春山潤, 袖山 慶太郎. First-principles study on effects of buffer layer, Li depletion, and ion mixing at interfaces between LiCoO2 and sulfide electrolyte in all-solid-state battery. 21th International Conference on Solid State Ionics (SSI-21). 2017 招待講演
- 袖山 慶太郎. Liイオン電池の固液界面被膜生成メカニズムの第一原理MD計算による解明. 12th Pacific Rim Conference on Ceramic and Glass Technology. 2017 招待講演
- 袖山 慶太郎. リチウムイオン電池の新規電解液材料探索:高濃度Li塩電解液の反応解析. 一般社団法人 資源・素材学会 平成29(2017)年度 春季大会. 2017 招待講演
- 袖山 慶太郎. 第一原理分子動力学法による高濃度Li塩電解液の理論的検討. 41st international conference and exposition on advanced ceramic. 2017 招待講演
- 袖山 慶太郎. マテリアルズ・インフォマティクスによるLiイオン電池の高濃度電解液探索. PF研究会「測定しているけど見えていない情報を引き出すためには?〜. 2017 招待講演
2016
- サボバ ルチエ, 袖山 慶太郎, 梶山智司, 大久保將史, 山田淳夫, 館山 佳尚. 第一原理計算による層状化合物MXene負極へのカチオン挿入機構の解析. 第57回電池討論会. 2016
- 濱田 幾太郎, 館山 佳尚, 袖山 慶太郎, 大谷 優介. 色素増感・ペロブスカイト太陽電池界面の電荷移動機構に関する第一原理計算解析. 第3回「京」を中核とするHPCIシステム利用研究課題 成果報告会. 2016
- 袖山 慶太郎. 電気化学的に安定で高速充電可能な高濃度Li塩電解液のDFT-MD法による理論的研究. 11th Japan-France joint seminar on batteries. 2016 招待講演
- 袖山 慶太郎. 高濃度Li塩電解液の反応解析:リチウムイオン電池の新規電解液材料探索に向けて. 第一回材料設計討論会. 2016 招待講演
- 袖山 慶太郎. 「京」を用いたリチウムイオン電池の電解液反応解析:マテリアルズ・インフォマティクスによる材料探索に向けて. 第14回学融合ビジュアライゼーションシンポジウム. 2016 招待講演
2015
- 館山 佳尚, フテラ ズデニェク, 袖山 慶太郎. A novel Double-QM/MM method for donor-acceptor electron transfer in solution. Psi-k 2015 Conference. 2015
- 館山 佳尚, 後瀉 敬介, 袖山 慶太郎, 奥野 幸洋. Formation Processes of Solid Electrolyte Interphase at Electrode Interfaces in Lithium-Ion Battery. Psi-k 2015 Conference. 2015
- 館山 佳尚, 袖山 慶太郎. DFT-MD study on highly concentrated Li-salt electrolyte: A new class of electrolyte for batteries. Workshop on Materials Science for Energy Storage. 2015
- 館山 佳尚, 春山 潤, 韓 礼元, 袖山 慶太郎. DFT study on surface and interface states of tetragonal CH3NH3PbI3 for understanding interfacial charge transfer. International Conference on Hybrid and Organic Photovoltaics (HO. 2015
- 館山 佳尚, 大谷 優介, 児玉 小春, 韓 礼元, 袖山 慶太郎. Co-sensitizer effect of black (N749) dye by DFT molecular dynamics investigations of TiO2(101)/black dye/acetonitrile interfaces. International Conference on Hybrid and Organic Photovoltaics (HO. 2015
- 館山 佳尚, フテラ ズデニェク, 袖山 慶太郎. ドナー・アクセプター間電子移動反応に向けたdouble QM/MM法開発. 日本物理学会第70回年次大会. 2015
2014
- 館山 佳尚, 大谷 優介, 韓 礼元, 袖山 慶太郎. Adsorption, Excitation and Charge Transfer of Black Dye at TiO2 Anatase/Acetonitrile Interface in DSC. The 2nd International Symposium on the Functionality of Organize. 2014
- 館山 佳尚, 後瀉敬介, 袖山 慶太郎, 奥野幸洋. DFT-MD blue-moon ensemble study on reductive decomposition of carbonated-based solvent in lithium ion battery. International Symposium on Extended Molecular Dynamics and Enhan. 2014
- 館山 佳尚, 大谷 優介, 児玉 小春, 韓 礼元, 袖山 慶太郎. Adsorption, Excitation and Charge Transfer of Black Dye at TiO2 Anatase/Acetonitrile Interface in DSC. 計算分子科学研究拠点 第5回研究会. 2014
- 館山 佳尚, 大谷 優介, 児玉 小春, 韓 礼元, 袖山 慶太郎. Adsorption, Excitation and Charge Transfer of Black Dye at TiO2 Anatase/Acetonitrile Interface in DSC. 65th Annual Meeting of the International Society of Electrochemi. 2014
- 館山 佳尚, 大谷 優介, 児玉 小春, 韓 礼元, 袖山 慶太郎. Acetonitrile Solution Effect on Ru N749 Dye Adsorption and Excitation at TiO2 Anatase Interface. The 3rd Tsukuba Workshop on Organic Photovoltaics. 2014
2013
- 袖山 慶太郎, 後瀉 敬介, 奥野 幸洋, 館山 佳尚. DFT-MD study of additive effects on reductive decomposition of carbonate-based solvent toward solid electrolyte interphase formation . 224th ECS Meeting. 2013
- Johan Scheers, フテラ ズデニェク, 袖山 慶太郎, 館山 佳尚. Lithium-air batteries: a DFT-MD study of the stability of Li+ + O2*– and LiO*– in DMSO and PC electrolytes. 224th ECS Meeting. 2013
- 奥野 幸洋, 後瀉 敬介, 袖山 慶太郎, 館山 佳尚. 第一原理分子動力学計算によるリチウムイオン二次電池電解液および添加剤のSEI形成反応解析. 第54回電池討論会. 2013
- 後瀉 敬介, 袖山 慶太郎, 館山 佳尚, 奥野 幸洋. 第一原理分子動力学計算によるリチウムイオン二次電池電解液および添加剤のSEI形成反応解析. 2013年電気化学会季大会. 2013
- 館山 佳尚, 袖山 慶太郎, 後瀉 敬介, 奥野 幸洋. 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. 第7回分子科学討論会2013. 2013
- 館山 佳尚, 後瀉 敬介, 袖山 慶太郎, 奥野幸洋. Car-Parrinello MD and blue-moon ensemble study on reductive decomposition of carbonate-based solvent in lithium ion battery. CPMD2013. 2013
- 隅田 真人, 袖山 慶太郎, 城野亮太, 館山 佳尚. アナターゼTiO2(101)表面に吸着したアセトニトリル分子の電子状態. 物性研究所共同利用スパコン合同研究会「計算物性物理学の新展開」. 2013
2012
- 隅田 真人, 袖山 慶太郎, 館山 佳尚. 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 . 日本物理学会秋季大会. 2012
- 隅田 真人, 袖山 慶太郎, 館山 佳尚. 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. 第6回分子科学討論会. 2012
- 館山 佳尚, 隅田 真人, 袖山 慶太郎. DFT-MD Analysis of Interfacial Charge Transfer at TiO2/ Solution Interfaces for Photocatalysis and Solar Cell. Spring meeting of international society of electrochemistry. 2012
- 館山 佳尚, 隅田 真人, 袖山 慶太郎. 色素増感太陽電池における固液界面に吸着した遷移金属錯体色素の光吸収スペクトル解析. ナノライフ公開シンポジウム. 2012 招待講演
- 隅田 真人, 袖山 慶太郎, 韓 礼元, 館山 佳尚. Water Contamination Effect on Liquid Acetonitrile / TiO2 Anatase (101) Interface for Durable Dye-sensitized Solar Cell. MANA International Symposium 2012. 2012
- 隅田 真人, 袖山 慶太郎, 館山 佳尚. 光触媒・太陽電池系TiO2/溶液界面の第一原理MD解析. 「連携ラボ」第7回公開シンポジウム. 2012 招待講演
- 館山 佳尚, 隅田 真人, 袖山 慶太郎. 色素増感太陽電池系電極/電解質溶液界面・Ru色素吸着に関する第一原理計算解析. 第2回計算物質科学イニシアティブ(CMSI)研究会. 2012
2011
- 隅田 真人, 袖山 慶太郎, 館山 佳尚. 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. 第31回 表面科学 学術講演会. 2011
- 袖山 慶太郎, 隅田 真人, 館山 佳尚. 二酸化チタンアナターゼ(101)表面におけるN749ルテニウム色素(ブラックダイ)の吸着構造:プロトンを有するカルボキシル基による吸着. The 14th ASIAN Workshop. 2011
- 館山 佳尚, 隅田 真人, 袖山 慶太郎. First-Principles Study on Semiconductor Electrode/Liquid Interfaces for Photocatalysis and Dye-Sensitised Solar Cell . Intl Sympo on Atomically Controlled Fabrication Technology. 2011 招待講演
- 隅田 真人, 袖山 慶太郎, 韓 礼元, 館山 佳尚. Water Contamination Effect on Liquid Acetonitrile / TiO2 Anatase (101) Interface for Durable Dye-sensitized Solar Cell . The 14th Asian Workshop on First-Principles Electronic Structure. 2011
- 館山 佳尚, 袖山 慶太郎, 隅田 真人. Adsorption and photoexcitation of black dye (N749 Ru dye) on TiO2 anatase (101) surface for dye-sensitised solar cell . ICTP-SISSA Workshop on New Materials for Renewable Energy. 2011
- 袖山 慶太郎, 隅田 真人, 館山 佳尚. 色素増感太陽電池におけるRu(II)ポリピリジル錯体のTiO2アナターゼ(101)表面吸着構造および励起状態に関する理論的研究. 日本物理学会2011年秋季大会. 2011
- 隅田 真人, 袖山 慶太郎, 館山 佳尚. 固液界面の大規模第一原理計算. 第2回「学際計算科学による新たな知の発見・統合・創出」シンポジウ. 2011
- 袖山 慶太郎, 隅田 真人, 館山 佳尚. 色素増感太陽電池開発に向けた二酸化チタンアナターゼ(101)表面上におけるブラックダイの吸着構造および励起状態に関する理論的研究. ISTCP-VII (Congress of the International Society for Theoretical. 2011
- 袖山 慶太郎, 隅田 真人, 館山 佳尚. TiO2アナターセ(101)表面に吸着したRu(4,4. APS march meeting 2011. 2011
2010
- 小堀 知輝, 館山 佳尚, 袖山 慶太郎, 常行 真司. FMO法に基づく三体項を導入した電子状態計算手法の開発. 分子科学討論会2010. 2010
その他の文献 TSV
2022
- DIEB, Sae, SODEYAMA, Keitaro, TANIFUJI, Mikiko. Visualization of Materials Science topics in Publications of Institutional Repository using Natural Language processing. Research Ideas and Outcomes. 8 (2022) e95679
2017
- Jun Haruyama, Keitaro Sodeyama, Yoshitaka Tateyama. Atomic Structures and Electronic States at the Surfaces and Interfaces of CH3NH3PbI3 Perovskite. Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications. (2017) 165-182 10.1201/9781315152424-6