AI- and Data-Driven Materials Informatics

Companies and R&D Institutions Involved in Materials Informatics

Learn how trends are shaping the materials development market as it evolves with AI.

I. Overview

AI- and data-driven approaches have made "intelligence" a prevalent concept in material science. This could be seen as the burgeoning of a new design theory.

1. The Current State of AI in Materials Science
2. Market Size and Trend of the AI- or Data-Driven Material Informatics
3. The Future of Materials
   - Through the convergence of information science, structural engineering, and cognitive science, the concept of “intelligent materials” is taking shape.
   - The materials market is evolving into a “knowledge-driven” world, systematically and meticulously designed through the insights of data and AI.

II. Current Applications for AI in Materials Development

1. Advancing Nanomaterial Discovery Through Machine Learning
   1-1. The Challenges of Materials Discovery in the Face of a Vast Candidate Space
   1-2. New Discovery Methods Pioneered by Machine Learning
   1-3. Accelerating Discovery Cycles and Changes in the Research Landscape
   1-4. Market Size and Trends in Nanomaterial Discovery Using Machine Learning
2. Autonomously Evolving Intelligent Materials Technology
   2-1. The Era of Materials That Interact with the Environment
   2-2. Future Application Areas Envisioned by Intelligent Materials
   2-3. Market Size and Trends in Autonomously Evolving Intelligent Materials Technology
3. AI Applications in the Energy Materials Field
   3-1. Energy Challenges and the Limits of Materials Development
   3-2. AI Tackles the Design of High-Efficiency Energy Materials
        3-2-1. Catalysts
        3-2-2. Batteries
        3-2-3. Hydrogen Energy
        3-2-4. Solar Cells and Photovoltaic Materials
        3-2-5. Thermoelectric and Thermal Storage Materials
        3-2-6. CO₂ Capture, Utilization, and Storage
        3-2-7. Corrosion and Durability Design
   3-3. Emerging Breakthroughs to Ensure Social Implementation
   3-4. Market Size and Trends in AI Applications in the Energy Materials Field
4. Current Approaches to Unknown Physical Properties Using Quantum AI
   4-1. New Horizons That Spread at the Intersection of Quantum Science and AI
   4-2. Deepening Our Understanding of Physical Properties Through Quantum AI
        4-2-1. High-Precision Analysis of Electronic Structure: Overcoming the Barrier of Correlations
        4-2-2. Understanding Phase Transition Phenomenon: Visualizing Invisible Fluctuations
        4-2-3. Bridging the Gap Between Simulation and Experiment: Closing the Gap with Reality
   4-3. Impact from Basic Research to Industrial Applications
        4-3-1. New Materials Design: Moving Beyond the Edisonian Approach
        4-3-2. Pharmaceutical and Chemical Industries: Full Mastery of Dynamic Processes
        4-3-3. Information and Communications, Quantum Devices: Toward an Era of Creating Quantum Systems with Quantum Technology
        4-3-4. The Realization of Predictive Materials Science Through Quantum AI
   4-4. Market Size and Trends Relating to Quantum AI and Physical Property Research
5. AI Implementation Status in Materials Design
   5-1. The AI Black-Boxing Issue and Risks in Materials Science
   5-2. Establishing Credibility Through "Explanable" AI or "XAI"
   5-3. Next-Generation Design That Realizes Both Transparency and Creativity
   5-4. Market Size and Trends in AI Materials Design and Explainability

III. Development of Materials Informatics at Major Organizations

• Quemix Inc.
• Keio University (Quantum Computing)
• Daiichi University of Pharmacy
• NTT, Inc.
• University of Tokyo (Nanomaterial Design)
• Tokyo University of Science (Electronic Materials)
• Tohoku University
• National Institute for Materials Science (NIMS) - Material Design
• University of Osaka (Chemical Materials)
• Institute of Science Tokyo
• University of Tokyo (Institute of Industrial Science)
• National Institute for Materials Science (NIMS) - Neuromorphic Devices
• Tokyo University of Science (Applied Chemistry)
• National Institute for Materials Science (NIMS) - Magnetic and Spintronics Materials
• University of Miyazaki
• Ritsumeikan University
• OptQC Corp.
• Quanmatic Inc.
• Keio University (Sustainable Quantum Science)
• University of Electro-Communications
• Hitachi, Ltd.
• National Institute for Materials Science (NIMS) - Material Design
• Rikkyo University
• University of Osaka (Soft Nanomaterials)
• Nara Institute of Science and Technology (NAIST)
• Hokkaido University
• Yamagata University