[Isao Ohkubo] Novel materials exploration driven by ab initio calculations and informatics

Research Director

Isao Ohkubo

Isao Ohkubo

WPI Research Center, International Center for Materials Nanoarchitectioncs (MANA), Inorganic Nanostructures Unit, Atomic Network Materials Group, National Institute for Materials Science (NIMS)
Senior researcher


The role of materials research is important for solving the energy and environmental problems that modern society faces today. Combination of materials design based on ab initio calculations and materials informatics, and high-throughput materials synthesis techniques is a powerful tool for exploring the new class of energy materials. In this study, to promote innovations in the research field of materials science, advantages of materials design and screening using ab initio calculations and materials informatics in the exploration of new functional materials will be revealed.

Quick Access


  • ACT-I
  • ACT-X
  • ALCA
  • AIP Network Lab
  • JST ProjectDB
  • Global Activities
  • Diversity
  • SDGs
  • OSpolicy
  • Yuugu
  • Questions