Molecular Informatics Team

Koji Tsuda (Ph.D.)

Title

Team Leader

Members

Team Leader

Koji Tsuda
Research Scientist

Adnan Sljoka
Postdoctoral Researcher

Sumita Masato
Postdoctoral Researcher

Kei Terayama
Senior Visiting Scientist

Mitsuo Umetsu
Visiting Scientist

Masaya Kumagai
Visiting Scientist

Yutaka Saito
Visiting Scientist

Motoki Shiga
Visiting Scientist

Junichiro Shiomi
Visiting Scientist

Ryo Tamura
Visiting Scientist

Tsuyoshi Ueno
Technical Staff I

Miho Hosoya
Technical Staff I

Yoji Imai

Introduction

Molecular informatics team aims to develop artificial intelligence methods that design functional biomolecules such as proteins and inorganic compounds such as metal, ceramic and nanoparticles. In addition to theoretical studies about automatic design methods such as Bayesian optimization and Monte Carlo tree search, we synthesize designed materials in collaboration with experimental scientists.

Main Research Field

Computer Science

Research Field

Multidisciplinary

Research Subjects

Automatic design methods for molecules and materials
Automatic construction of materials science databases from literature
Theoretical studies about experimental design

RIKEN Website URL

http://www.riken.jp/en/research/labs/aip/goalorient_tech/mol_inf/

[Poster] FY2018 Research Results (Written in Japanese)

posted on January 23, 2019 09:45Pressrelease

Design and Validation of World-Class Multilayered Thermal Emitter Using Machine Learning —Selection of an Optimum Structure from Approximately Eight Billion Candidates May Make Society More Energy Efficient—

posted on November 16, 2018 10:51Information

Swedish Foundation for Strategic Research "The Future Research Leaders Program" Visit AIP

posted on September 7, 2018 17:55Information

Twelve papers are accepted at NeurIPS 2018