Mitsui & Co., Ltd. ("Mitsui", Head Office: Tokyo, President and CEO: Kenichi Hori) has jointly developed a quantum-integrated chemistry platform QIDO (Quantum-Integrated Discovery Orchestrator) with Quantum Simulation Technologies, Inc. ("QSimulate", CEO: Toru Shiozaki), a computational chemistry software company, and Quantinuum (CEO: Rajeeb Hazra), a global leader in quantum computing. The platform will become available on August 19.

Quantum computers are expected to revolutionize drug discovery and materials development by advancing molecular design precision in the fields of drug discovery, materials science, and chemistry. However, challenges such as technological maturity, talent shortages, and implementation costs remain, and many companies are still evaluating the feasibility of adoption. In materials development, leveraging digital technologies requires more than simple data processing – it demands complex processes that bridge quantum mechanical microscale phenomena with macroscale product performance. By integrating cutting-edge computational chemistry, quantum computing innovations, and AI technologies into research and development, companies can simulate and analyze material properties and chemical reactions in virtual environments, thereby gaining a competitive edge.

QIDO is a new solution designed to support the reduction of lead time and cost in research and development by improving the accuracy and efficiency of material design and reaction analysis in these fields. The platform integrates QSimulate's classical computational chemistry software QSP Reaction with Quantinuum's quantum computing software InQuanto. This hybrid approach seamlessly combines practical classical computing with advanced quantum computing, enabling sophisticated molecular simulations.

High-precision chemical reaction analysis is first performed using QSP Reaction, and the results are then applied to InQuanto, streamlining the integration of quantum computing. This process makes quantum chemistry technologies – previously requiring specialized expertise – accessible to a broader range of research environments. With an intuitive user interface and automated analysis functions, researchers can select optimal methods and conduct their studies efficiently. Furthermore, by leveraging cloud environments, QIDO provides a flexible and rapid testing platform for various research themes. This enables companies and research institutions to efficiently advance their efforts toward implementing quantum technologies, accelerating adoption.
Potential use cases include reaction pathway exploration, excited state calculations, drug discovery, catalyst and enzyme design, sustainable materials, and energy technologies. Future plans include expanding domain-specific functions for applications in battery technology and the life sciences.

Through this initiative, Mitsui will explore market needs in key areas such as drug discovery, materials science, and chemistry – fields where quantum computing use cases are gaining attention – and contribute to solving industrial challenges by leveraging quantum technologies.

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