Director
- Professor Kimito Funatsu
Deputy Director
- Professor Mikiya Fujii
Data Science
- Professor Takamitsu Matsubara
- Professor Kazushi Ikeda
- Professor Taro Watanabe
- Professor Eiji Aramaki
- Associate Professor Naoaki Ono
- Associate Professor Shoko Wakamiya
- Associate Professor Hidetaka Kamigaito
- Associate Professor Hiroki Ouchi
Bioinformatics
- Professor Yuichi Sakumura
- Professor Shiro Suetsugu
- Associate Professor Taito Matsuda
- Assistant Professor Toshiya Kokaji
- Assistant Professor Kenta Suzuki
Materials Informatics
- Professor Kimito Funatsu
- Professor Yukiharu Uraoka
- Professor Mikiya Fujii
- Professor Hiroharu Ajiro
- Professor Tomohiro Matsushita
- Associate Professor Tomoyuki Miyao
- Associate Professor Ken Hattori
- Associate Professor Tomoaki Takayama
- Associate Professor Yosuke Harashima
- Associate Professor Kazuma Yasuhara
- Associate Professor Kosuke Hara
- Assistant Professor Juan Paolo S. Bermundo
- Assistant Professor Sakura Takeda
- Assistant Professor Yuta Yamamoto
- Assistant Professor Kazunori Iwamitsu
- Assistant Professor Akinori Sato
International Education and Research Collaboration
- Professor Kimito Funatsu
Research Transformation (RX)
- Professor Shigetaka Tomiya
- Professor Mikiya Fujii
- Associate Professor Zentaro Akase
- Postdoctoral Fellow Jemyung Lee
- Professor Takayuki Yuasa
- Coordinator Hisaharu Yagi
- Research Technician Ruiko Fukumoto
Adjunct Professors and Postdoctoral Fellow
- Professor Johann Gasteiger (Erlangen-Nuernberg University)
- Professor Jürgen Bajorath (University of Bonn)
- Professor Gisbert Schneider (ETHZ)
- Professor Alexandre Varnek (University of Strasbourg)
- Professor Hiroko Sato (University of Zurich)
- Professor Yuji Matsumoto (RIKEN)
- Postdoctoral Fellow Ronald Ssebadduka
