2024 - MON


2024 - WED


13:00 ~ 15:00

MateriAI 2023 〜 計算物質科学分野におけるAI技術の活用 [Utilization of AI technology in the field of computational materials science]

御殿場高原 時之栖/Gotemba Kogen Tokinosumika

静岡県御殿場市神山719/719 Kamiyama, Gotemba, Shizuoka


The English version is located after the Japanese version


2023年12月28日(木) 17時

[English version]

In recent years, artificial intelligence (AI) technology has seen remarkable development and its applications have been expanding across various fields including medicine, finance, and education. This trend is no exception in the field of computational materials science, where it significantly contributes to the acceleration of research and development.

This workshop aims to utilize AI technology in the field of computational materials science. Specifically, we will implement efficiency improvements in coding techniques using AI, automatic collection of materials science information, and development of AI concierge services, all through actual teamwork. Through these activities, participants will deepen their knowledge of AI from basics to applications, learn how to apply AI in solving challenges in materials science, and share their experiences. Additionally, project work in each team will provide opportunities to gain practical skills and experience in teamwork.

◾️Application Deadline
5 PM, December 28, 2023 (Thursday)


御殿場高原 時之栖/Gotemba Kogen Tokinosumika
静岡県御殿場市神山719/719 Kamiyama, Gotemba, Shizuoka
2024年2月12日 (月) 13:00 〜 2024年2月14日 (水) 15:00
参加定員 [participant capacity]:
30000円(1泊2食x2日、軽食・懇親会代5000円含む) [支払い方法については申込締切後にご案内いたします。]




The English version is located after the Japanese version

物質科学・計算科学・情報科学・数理科学・HPCに関連する若手研究者、ポスドク、大学院生 ※プログラミングの基本的な知識は必要です。


・東京大学物性研究所 修士・博士課程学生・特任研究員

[English version]

◾️Eligible Participants

Young researchers, postdocs, and graduate students related to materials science, computational science, information science, mathematical science, and HPC. Basic programming knowledge is required.

※Important Notes

Participants will be required to stay at a designated hotel. The hotel reservations will be made collectively by the organizing committee.
Payment methods for accommodation and other details will be communicated separately via email to those who register.
Please bring your own laptop.
Tutorial materials will be distributed in advance. You will also be informed of the necessary software environment. Please ensure that you have installed the required environment on your PC and that the program operates correctly before attending the course.

◾️Travel Support
Travel expenses will be covered for the following individuals. Others are requested to participate at the expense of their respective institutions:

・Master’s and Ph.D. students, specially appointed researchers of Institute for Solid State Physics, University of Tokyo
In case of a large number of applicants, selection will be made and the decision on the coverage of travel expenses will be communicated.


The English version is located after the Japanese version

13:00 13:10 はじめに
13:10 13:40 本研究会の目的 〜 To deepen understanding of solid state physics with AI technology (トヨタ自動車株式会社 庄司哲也先生)
13:40 14:40 AIを活用した研究事例の紹介: 物質空間の可視化と新物質の生成 (大阪大学 小野寛太先生)
14:50 15:20 Test Driven Development with ChatGPT (東大物性研 本山裕一先生)
15:20 15:50 Boosting Comprehension and Engagement: Leveraging LLMs for Enhanced Learning Experiences (NIMS 木野日織先生)
15:50 16:10 チーム作業の進め方の説明
16:10 17:40 チーム作業:目標設定・発表
17:40 18:00 データ解析環境の構築
9:00 12:00 チーム作業 I
13:30 14:30 大規模言語モデルに化学的な思考を行わせるための検討状況 (東京工業大学 畠山歓先生)
14:30 16:00 チーム作業 II
16:00 16:30 MateriAppsとMatDaCsの紹介 (東大物性研 三澤貴宏先生)
16:30 18:00 チーム作業III
9:00 12:00 チーム作業 IV
13:30 15:00 チーム成果発表


[English version]

First Day
13:00 13:10 Introduction
13:10 13:40 Objectives of this Workshop – To deepen understanding of solid state physics with AI technology (Dr. Tetsuya Shoji, Toyota Motor Corporation)
13:40 14:40 Visualization of material space and generation of new materials (Prof. Kanta Ono, Osaka University)
14:50 15:20 Test Driven Development with ChatGPT (Dr. Yuichi Motoyama, ISSP, Univ. of Tokyo)
15:20 15:50 Boosting Comprehension and Engagement: Leveraging LLMs for Enhanced Learning Experiences (NIMS Prof. Hiori Kino)
15:50 16:10 Explanation of Team Work Procedures
16:10 17:40 Team Activity: Team Goal Setting and Team Goal Presentations
17:40 18:00 Setting Up Data Analysis Environments
Second Day
9:00 12:00 Team Work I
13:30 14:30 Current Status of Implementing Chemical Reasoning in Large-Scale Language Models (Prof. Kan Hatakeyama, Tokyo Institute of Technology)
14:30 16:00 Team Work II
16:00 16:30 Introduction to MatDaCs and MateriApps (Prof.TakahiroMisawa,ISSP, Univ. of Tokyo)
16:30 18:00 Team Work III
Third Day
9:00 12:00 Team Work IV
13:30 15:00 Team Results Presentation
※Important NotesThe contents are subject to change without prior notice.
Break times and meal times are omitted.
Details about lectures and presenters will be announced later.
During the practical sessions, downloading files from external sites and connecting to external networks may be required. Please be aware in advance.


・東京大学物性研究所 社会連携研究部門 データ統合型材料物性研究部門
・トヨタ自動車株式会社 先端材料技術部


東京大学物性研究所 計算物質科学研究センター(CCMS)


東京大学物性研究所 吉見一慶、三澤貴宏、福島鉄也、井戸康太
ISSP: Kazuyoshi Yoshimi, Takahiro Misawa, Tetsuya Fukushima, Kota Ido


〒277-8581 千葉県柏市柏の葉5-1-5

Institute for Solid State Physics, The University of Tokyo,
Center for Computational Materials Science (CCMS)
5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581, Japan