News
- 2024/08/23
The graduate school entrance examination for admission to the master’s programme in April 2025 has ended.
- 2024/08/19
D2 student Dan Ito in Tateyama group organized and was in charge of the first section meeting ‘First-principles calculations of electrochemical reactions: Dr. Ryosuke Jinnouchi (Senior Fellow, Toyota Central R&D Labs., Inc.)’ at the 63rd Summer School of the Young Society of Molecular Science (2024/08/19-23@IMS). Thank you for your hard work, Dan-san.
- 2024/08/19
Ph.D Student, Konstantin Köster from Forschungszentrum Jülich GmbH, who is staying at Abe group, Kyoto Univ. as a participant of JSPS Summer Program (same program as Lukas Ketter takes), visited Tateyama group and discussed computational studies on batteries.
- 2024/08/05
A paper on theoretical calculations of ion transport at the interface between the cathode and coating layer in all-solid-state batteries (using the HI-CALYPSO method developed in Tateyama group) by Dr. Zizhen Zhou, a Specially Appointed Assistant Professor, was published in ACS Appl. Mater. Interfaces. Congratulations, Zizhen-san!
- 2024/08/05
A paper on theoretical calculations by Dr. Seong-Hoon Jang (currently a special assistant professor at the Institute for Materials Research, Tohoku University), a former postdoctoral researcher in Tateyama group, using the EwaldSolidSolution program developed in our group to search for Na-ion sulfide solid electrolytes with high stability and ion conductivity, has been published in J. Mater. Chem. A. Congratulations, Seong-Hoon-san!
- 2024/07/18
D2 student Dan Ito in Tateyam group gave a poster presentation at Solid State Ionics 2024, held at the QEII Centre in London, UK, and won the Poster Award. Congratulations, Dan-san! Dan Ito and Professor Tateyama (oral presentation) attended Solid State Ionics 2024.
Highlight
- 2023/09/11
W.Zhou(PD)らのMg二次電池正極表面における電解液分解機構のALCA-SPRING論文がACS Energy Lett.に出版されました。
- 2023/08/28
Jalem(Staff)らの有望固体電解質のDFT計算および機械学習に関する科研費・マテリアライズ論文がJ. Phys. Chem. Cに出版されました。
- 2023/07/05
館山(GL)らのリチウムイオン電池有機正極の計算探索に探索の「富岳」電池課題論文がJ. Phys. Chem. Cに出版されました。
- 2023/06/28
Jang(PD)らの固体電解質安定性のハイスループットスクリーニング手法の提案に関するDX-GEM・ABC論文がJ. Phys. Chem. Aに出版されました。
- 2023/04/06
佐々木(Ph.D)らのイオン伝導度計算に対する新しい非平衡MD手法の開発と実証に関する蓄電固体界面科学・「富岳」電池課題論文がnpj Comput. Mater.に出版されました。
Activity
- 2024/08/19
We held a farewell party for Lukas, who was staying with us as part of the JSPS Summer Program, and a send-off party for Zizhen, who is going to study at Brown Univ. (The first party in the group and the second party at an izakaya in Aobadai.)
- 2024/07/04
We held a farewell party for Greg and Harsh (both from Brown U.) who were visiting our group. In the second party, we went to a Japanese pub with Lukas, who is staying in Japan on a short-term visit through JSPS, and Prof. Tateyama.
- 2024/06/27
We held a party in Shin-Yokohama to celebrate the successful completion of the ‘Workshop bridging between theory and experiment on all-solid-state battery materials at Tokyo Tech’ held at the Suzukakedai Campus, with members of the Tateyama-Ando Group and the members of Prof. Yue Qi’s group, who were visiting us.
- 2024/03/13
Prof. Michael DeVolder (Univ. of Cambridge), who is also a GL at the Faraday Institution, a virtual battery research institute in the UK, visited the NIMS Tateyama Group and had various discussions and exchanges in addition to the seminar.
- 2023/09/27
NIMSインターンシップ生Feye-Feng Luさん（Master:台湾・国立成功大）の送別会を開催しました。
- 2023/08/23
Students in the Materials Science and Engineering, École Polytechnique Fédérale de Lausanne (EPFL) visited NIMS, which was hosted by GREEN Center Director, Dr. Tateyama.
Research
NIMSエネルギー・環境材料研究センター(GREEN)、界面計算科学(IFCS)グループはエネルギー・環境問題に関連する物質・材料の重要課題（電池、触媒他）を対象に、先端的な理論計算（第一原理・統計力学・マルチスケール）・データ科学技術を用いてその微視的メカニズムを明らかにし、物質・材料開発はもちろん物理・化学および物質・材料科学の学理の発展に貢献することを目標に研究を行っています。特に重要課題に関する”世界初”の基礎研究・応用開発を目指して研究を進めています。
当研究室の特徴は以下の通りです。
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二次電池の理論／計算／データ科学研究の世界最先端
（Li-ion電池、Na-ion/Mg-ion/全固体電池など）
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固液・固固界面、酸化還元反応の計算科学研究の最先端
（電気化学、イオニクス、表面科学など）
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太陽電池、触媒・光触媒の界面に関する計算科学研究（統一的な界面学理の構築）
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理論／計算／AI技術の新規性も重視
（汎用プログラムのユーザーではなく、手法開発も行う）
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国際的にも見える先端的研究の実施（国内外の著名研究者の相互訪問、競争と交流）
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研究活動はすべて英語で実施（国際性大）
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ポスドク・学生の育成重視
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