The latest news from Professor Yoshitaka Tateyama (Click).
The latest news from Associate Professor Yasunobu Ando.
The latest news from Assistant Professor Ryoma Sasaki.
The latest news from Assistant Professor Takeru Nakashima.

Conference Organization：The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26) (Prof. Yoshi Tateyama = Co-Chair) will be held on 27-29 October 2025 in Tsukuba EPOCHAL. Please check the link for detail.
Notice：Dr. Simone Piccinin (Group Leader, CNR-IOM, Trieste, Italy), working mainly on surface reactions, will stay in Tateyama-Ando Group for 25 Sep. – 15 Oct. 2025.

2025/07/07:[INTERNATIONAL] Prof. Michiel Sprik (Univ. of Cambridge) gave a talk in the CLS seminar series (Organizer = Prof. Tateyama).

2025/07/07:[INTERNATIONAL,NEWCOMER] Emeritus Prof. Michiel Sprik (Yusef Hamied Department of chemistry, Univ. of Cambridge, UK), an authority in theoretical and computational electrochemistry, stays in Tateyama-Ando Group as a specially appointed Professor for 7-30 July 2025. [Photo: Prof. Michiel Sprik]

2025/06/30: [PAPER] A paper of Mr. Dan Ito (D3 student) & Prof. Yoshi Tateyama, on ion transport in Prussian Blue crystals, was published in  J. Am. Chem. Soc. It’s also press-released from Science Tokyo, JST, Waseda Univ. & Yamagata Univ. It’s also introduced at HPCI portal-site & 「富岳百景」site. Congrats, Dan!

2025/06/23: [PRESENTATION] Prof. Yoshi Tateyama gave a plenary talk in International Symposium on AI for Electrochemistry (iSAIEC 2025), held in Xiamen Univ., China. [Photos: Group photo,  Prof. Jun Cheng+ organizing committee members +Prof. Hyungjun Kim]

2025/06/17: [STUDENT] Mr. Qianli Si (D3 student) completed his ph.D defense. He will soon get a ph. D degree. Congrats, Qianli!

2025/06/16: [MEETING] The 90th Solid-State Ionics Meeting (in Japan) “Recent progress of ionics theory and calculation”(Organizer = Prof. Yoshi Tateyama) was held in Ookayama Campus of Science Tokyo. We appreciate many participants and extensive discussion. [Photos: Group photo, photo of the final party]

2025/06/12: [PRESENTATION] Assist. Prof. Sasaki gave a contributed talk in NEMD2025  – Japan Conference, held in Osaka Univ.

2025/06/10: [INTERNATIONAL] Dr. Stephen Sanderson, a post-doc in Prof. Debra Bernhardt Group (our collaborator), The Univ. of Queensland, visited Tateyama-Ando Group and gave a seminar on theoretical treatment of local temperature. Thanks, Stephen! [Photo: during discussion]

2025/06/01: [NEWCOMER] Ms. Akiko Hori joined Tateyama-Ando group as a secretary. Welcome!

2025/05/08: [INTERNATIONAL] Prof. Amalendu Chandra (IIT Kanpur / Science Tokyo(sabbatical)) gave a talk in the CLS seminar series (Organizer = Prof. Tateyama).

2025/05/05: [PAPER] A paper of Mr. Qianli Si (D3 student) & Prof. Yoshi Tateyama, on ML model development for cycle life prediction of Li-metal battery with EIS data, was published in Adv. Sci. Congrats, Qianli!

2025/04/03: [STUDENT] New MacBookAir (13inch, M3) were provided to B4/M1 students. Please work hard and enjoy computational chemistry on energy materials.

2025/04/01: 佐々木助教、中嶋助教が共に科研費若手研究に採択されました。おめでとう！なおD3学生伊藤暖さんが学振DC2に、D1学生Feye-Feng Luさんが科学大SPRINGに採択されていて給与と研究費を受給してます。がんばって。

2025/04/01: [NEWCOMER] 研究員(PD)として、DOU Yingさん、石黒裕樹さん、修士１年(M1)として、廣瀬大志さん、加藤慶高さん、北野理久さん、溝淵力也さん、西野太朗さん、小川陸さん、学部４年(B4)特課研生として、浜田脩平さん、坂口太朗さん、特任専門員として加藤隆士さんが新たにメンバーとして加わりました。皆さん、よろしく！

2025/03/31: Zhou特任助教が退職されて、企業に就職することになりました。これまで、ありがとう、お疲れ様！

2025/03/29: [PAPER] Luong特任助教らの第一原理計算を用いて蓄電池正極表面の新しい劣化プロセスを提案した論文がJ. Power Sourcesに出版されました。Duć-san、おめでとう！

2025/03/28: 科学大化生研にて、学術変革領域A「イオン渋滞学」イオン伝導体WG(幹事：安藤准教授)を開催しました。

2025/03/26: 佐々木助教が豪州The University of QueenslandのDebra Bernhardt教授の研究室での在外研究を終え、無事帰国しました。

2025/03/25: 大学院説明会（すずかけ台キャンパス）にて研究室紹介をしました。

2025/03/14-15: [INTERNATIONAL] Temple Univ. Kyoto Campusで開催されたUnderstanding Surfaces and Interfaces: A Symposium Celebrating 7 Decades of Service of Prof. Mike Kleinにて館山教授が招待講演を行いました。またD2学生伊藤暖とD1学生Feye-Feng Luが聴講しました。[Photo: With Prof. Mike Klein]

2025/03/12: [INTERNATIONAL] 台湾中央研究院(Academia Sinica) Institute of Atomic and Molecular SciencesのProf. Jer-Lai Kuoが当研究室を訪問し、研究議論に加えてCLS seminarにてご講演いただきました。[Photos: Seminarと懇親会（藤井正明名誉教授、Prof. Amalendu Chandra他とともに）]

2025/03/11: 館山教授が研究代表者を務める文部科学省「富岳」成果創出加速プログラム「富岳」材料物理化学課題と「富岳」燃料電池課題が共同で第二回合同公開シンポジウム（FugakuMPC_2nd-Symposium）をオンラインで開催しました。筑波大・朴先生、東大・藤堂先生、トヨタ自動車（株）・喜多尾様に招待講演をいただきました。

2025/03/04: 科学大化生研にて、一杉CRESTチーム会議を開催しました。

2025/03/01: [INTERNATIONAL,NEWCOMER] インド・Indian Institute of Technology (IIT) KanpurのAmalendu Chandra教授（専門：溶液・界面・バイオ系のMD計算）が2026年2月までの1年間当研究室に特任教授としてサバティカル滞在されます。様々な国際共同研究を計画中です。[Photo: Prof. Amalendu Chandra]

2025/02/28: B4学生北野理久さんが学士特定課題研究発表を無事終えました。卒業確定！

2025/02/19: [PAPER] 佐々木助教らのイオン伝導度計算の高速高精度化を可能にする新手法”Constant Current非平衡MD手法”開発の論文がPRX Energyに出版されました。またJST-CREST研究の主な成果として東京科学大学およびJSTからプレスリリースされました。（化生研ホームページでも紹介。）遼馬さん、おめでとう！

2025/01/02: [INTERNATIONAL] 佐々木助教が3月下旬まで豪州The University of QueenslandのDebra Bernhardt教授の研究室に短期留学し、開発中の非平衡MDの拡張に取り組みます。

2024/12/20: 忘年会開催！ Welcome,  Ichaさん (An Niza El Aisnada, PD)と 暖さん (伊藤暖, 早稲田D2)),  米国からお帰りZizhenさん(Zizhen Zhou, 特任助教),  豪州へいってらっしゃい遼馬さん(佐々木遼馬, 助教)!

2024/12/11: [INTERNATIONAL] 館山教授がJapan (JST-GteX) – Italy (CNR)の国際連携キックオフワークショップに参加・発表しました。当研究室は今後Italy, Trieste, CNR-IOM & SISSAと共同研究を開始します。

2024/12/10-11: D1 学生Feye-Feng Luと佐々木助教が第50回固体イオニクス討論会にて口頭発表を行いました。

2024/12/01: [NEWCOMER] 研究員(PD)としてDr. An Niza El Aisnadaさんが当研究室に配属になりました。よろしく！

2024/11/29: [PAPER] D1学生Feye-Feng Luさんらの館山研＆台湾・国立成功大TIAN研の共同研究で進めた、Liイオンとプロトンの混合伝導体中での相互影響に関する第一原理計算論文がJ. Power Sourcesに出版されました。Feye-Feng-san、おめでとう！

2024/11/26: [AWARD] Assist. Prof. Ryoma Sasaki was awarded “Best Young Scientist Award” in “第18回物性科学領域横断研究会”. Congrats, Ryoma!  [Photo: with Prof. Fukuyama, a chair of the committee]

2024/11/26: [PAPER] A collaboration paper between Dr. T. Ezaki and Assoc. Prof. Yasunobu Ando was published in Phys. Rev. Res.

2024/11/14: The second young researchers’ seminar for the Grant-in-Aid for Transformative Research Areas “Ion Jamology” (A01, Assoc. Prof. Ando is the PI of Planned A01 group) will be held at the Suzukakedai Campus of Science Tokyo. Assoc. Prof. Ando and Assist. Prof. Sasaki are helping organization.

2024/10/28-30: SA Assist. Prof. Huu-Duc Luong and D2 student Dan Ito gave a poster presentation at The 25th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-25) held at University of Ulsan in Korea. Prof. Tateyama was also elected as a member of the international organizing committee for this ASIAN Workshop series. In addition, it has also been decided that he will be the local organizing committee chair for ASIAN-26, which will be held in Japan next year. It is becoming a research laboratory that represents Japan in computational physics, chemistry, and materials science.

2024/10/24-25: Prof. Tateyama, a PL of Fugaku “Materials Physics and Chemistry (MPC)” project, presented reports of “Fugak Usage” in the HPCI report meeting held in Shinagawa, Tokyo

2024/10/17-18: Dr. Hong-Kang Tian, an assistant professor in the Department
of Chemical Engineering at National Cheng Kung University, Taiwan visited our group with his three students. He gave an invited talk of the CLS seminar and we had extensive discussions about our possible future collaborations.

2024/10 /16-17: Dr. Seong-Hoon Jang, an SA assistant professor of Kumagai group in the Institute of Materials Research (IMR) at Tohoku University stayed in our group and had discussion about our program “EwaldSolidSolution”.

2024/10/12: A paper on theoretical calculations by Dr. Seong-Hoon Jang (currently a SA 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 NASICON-type solid electrolyte, has been published in Adv. Energy Sustainability Res. Congratulations, Seong-Hoon-san!

2024/10/11: D3 student Qianli Si in Tateyama group (Waseda) gave an oral presentation in PRiME 2024, held in Honolulu, HI, USA, and had lots on intensive discussions.

2024/10/01: Feye-Feng LU, a D1 student under IGP(C), and Riku KITANO, a B4 student under the batcheler thesis, joined our group. We look forward to working with you.

2024/10/01: Our group has become the Tateyama-Ando Group, Laboratory for Chemistry and Life Science (CLS), Institute of Integrated Research (IIR), Institute of Science Tokyo (Science Tokyo). The homepage URL and email address will be changed in the future, but for the time being, you can also use titech.ac.jp (we will use it).

2024/09/01: Dr. Takeshi Nakashima was appointed as an Assistant Professor in our group as of September 1, 2024. We look forward to working with you.

2024/09/01: SA Assist. Prof. Zizhen Zhou will be staying at Prof. Yue Qi’s group at Brown Univ. for about three months (short-term study abroad) to conduct computational research on all-solid-state battery interfaces.

2024/08/28: An experiment-simulation collaboration paper with Dr. Kawai and Prof. Masashi Okubo in Waseda Univ., “Proton Intercalation into an Open-Tunnel Bronze Phase with Near-Zero Volume Change” was published in Angewandte Chemie, International Edition.

2024/08/23: The graduate school entrance examination for admission to the master’s programme in April 2025 has ended.

2024/08/19-20: Ph.D Student, Konstantin Köster from Forschungszentrum Jülich GmbH, who is staying at Prof. 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.

2024/08/19-23: 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.

2024/08/05: 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!

2024/08/05: 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 SA Assist. Prof. Zizhen Zhou,  was published in ACS Appl. Mater. Interfaces. Congratulations, Zizhen-san!

2024/08/01: Prof. Yasunobu Ando gave a talk as the representative of the research project A01 at the 1st open symposium of the Grant-in-Aid for Scientific Research on Transformative Areas A ‘Ion Jamology’ held at the Hongo Campus of the University of Tokyo.

2024/07/21-23: Prof. Yoshitaka Tateyama visited University of Cambridge. He had discussions with Prof. Clare P. Grey PI and Prof. Michael De Volder GL of the Faraday Institution, a virtual institute for rechargeable batteries in UK. He also had discussions with Prof. Michel Sprik, with whom he had previously collaborated.

2024/07/20: D2 Dan Ito and Prof. Yoshitaka Tateyama gave invited talks at the ‘UK-Japan Next-Generation Batteries Seminar’ held at King’s College London in London, UK.

2024/07/18: D2 student Dan Ito 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.

2024/07/02-03: Lukas Ketter, who was staying at Tateyama-Ando group as part of the JSPS Summer Program, visited the laboratory of Associate Professor Saneyuki Ohno in Tohoku University, and gave a presentation at a research meeting.

2024/07/01: Dr. Zizhen Zhou, a researcher, was promoted to a specially appointed assistant professor in Tateyama-Ando group  as of 2024/7/1. Congratulations!

2024/06/27: We held a workshop with all-solid-state battery material researchers (Dr. Kanno, Dr. Hirayama, Dr. Suzuki, etc.) from the Suzukakedai Campus and Prof. Yue Qi, who was visiting us, entitled ‘Workshop bridging between theory and experiment on all-solid-state battery materials at Tokyo Tech’. From our group, Prof. Tateyama, Assoc. Prof. Ando, Assist. Prof. Sasaki, SA Assist. Prof. Luong, Researcher Zhou, and Dr. JALEM Senior Researcher from NIMS gave talks.

2024/06/27: A paper by D2 Qianli Si on the construction of a machine learning prediction model for the lifetime of Li metal batteries was published in Adv. Sci. (Impact Factor=14.3). Congratulations, Qianli! This paper was also released as a press release at NIMS (https://www.nims.go.jp/press/2024/07/202407240.html) and was also introduced in several newspapers.

2024/06/24 & 25: The JST-ASPIRE Okubo Project (Representative: Prof. Masashi Okubo, Waseda University) kick-off meeting and young researchers’ meeting (both international conferences) were held at the Ono Memorial Hall, Waseda University, and almost all of the members of our laboratory participated, with Prof. Tateyama and Assistant Prof. Sasaki giving invited lectures.

2024/06/24: Prof. Yue Qi from Brown University, who is a world leader in computational materials science for all-solid-state batteries, stayed at our laboratory (6/26-7/2) with two of our students (Harsh D. Jagad & Gregory Pustorino). We have started an international collaborative research project.

2024/06/21: Lukas Ketter, a Ph.D student in the group of Prof. Wolfgang Zeier in the University of Münster, was selected for the JSPS Summer Program and is staying in Tateyama group to start an international collaboration on theoretical calculations of solid electrolyte interfaces. Lukas will be with us until 13th September.

2024/06/16-21: Researcher Dr. Zizhen Zhou and D2 Qianli Si gave a poster presentation at IMLB2024, an important international conference on battery technology held in Hong Kong. (Prof. Tateyama gave an invited talk)

2024/06/06-07 & 12-13: D2 Masato Torii from Prof. Akitoshi Hayashi group in the Osaka Metropolitan University, stayed at Tateyama group to learn first-principles MD calculations and carry out joint research.

2024/06/04 & 12: Mr. Haruka Yamamoto (M2), a student from Prof. Kazuhiko Maeda’s group at Ookayama, Tokyo Tech, came to Tateyama-group to learn first-principles calculations as part of the lab rotation curriculum at the TAC-MI.

2024/06/01: Dr. Che-an Lin, a postdoctoral researcher from Taiwan’s National Cheng Kung University, has joined Tateyama group as a postdoctoral researcher (mainly in charge of the GteX project). Let’s work hard together.

2024/05/31-06/01: The ‘Ion Jamology’ project meeting was held. Associate Professor Ando, the leader of the A01 group (computational and mathematical research) of the planned research project, gave a lecture.

2024/05/16: A workshop was held at the CLS, Tokyo Tech for the JST-CREST ‘Exploration of Untapped Materials’ Hitosugi Project. Many students and young researchers from the Hitosugi group in the University of Tokyo and the Moriya group in  the Shizuoka University participated.

2024/04/12, 5/11, 6/1: Graduate School Entrance Exam Information Sessions held at Suzukakedai Campus or via Zoom (Group visits accepted)

2024/04/10: Prof. Wolfgang Zeier and student Johannes Hartel from the University of Münster, who are at the forefront of research into all-solid-state batteries and solid electrolytes, visited Tateyama group. Here they are in a commemorative photo under the cherry blossoms in full bloom.

2024/04/09: Prof. Tateyama started teaching Quantum Chemistry I (1Q) for the second-year students in the Department of Applied Chemistry.

2024/04/01: Tateyama-Ando group begins. Associate Professor Yasunobu Ando, Assistant Professor Ryoma Sasaki, Specially-Appointed Assistant Professor Huu Duc Luong, Researcher Zizhen Zhou, Researcher Takeru Nakashima, Yoko Saito (temporary staff), and Kaori Shida (administrative support staff) have joined the group. (Administrative support staff Mami Sukigara has continued from last year.)