The vision for the Institut Courtois is to promote an environment of creativity and discovery that will lead to fundamental breakthroughs in materials sciences. The Institute brings together leading researchers to accelerate materials research in five main thrusts, with two integrating and horizontal thrusts.

Research activities are structured around four major scientific and societal horizons in which new materials play a transformative role:
- Materials for the Quantum Revolution, focusing on quantum materials and the systems required for the development of quantum technologies.
- Materials for the Energy Transition, addressing challenges related to energy production, storage, and conversion.
- Materials for a Sustainable Environment, developing materials-based solutions that promote sustainability and environmental resilience.
- Materials for a Smart Society, encompassing materials that support advanced information technologies and intelligent systems.
Two cross-cutting research areas underpin all scientific activities:
- Materials Modelling, Theory and Simulation, and Artificial Intelligence, accelerating predictive approaches and the discovery of complex systems. This research area also fosters reciprocal exchanges between experts in artificial intelligence and materials science.
- Automation, Robotics, and Artificial Intelligence Applied to Experimental Data, enabling high-throughput experimentation, autonomous discovery, and advanced data analysis.