Quantum computers can model complex atomic interactions with extreme precision, something classical computers often fail to do at scale. This capability is opening new frontiers in material science, enabling faster breakthroughs in energy storage.
In this article, we look at how quantum tools are transforming battery innovation and what this means for energy, industry, and climate goals.
Case: Material innovation with quantum simulation for batteries and fuel cells
Battery and fuel cell performance depends on properties like ion mobility, chemical stability, and energy density, all determined at the atomic level. Quantum simulation makes it possible to accurately model these properties, identify promising materials, and accelerate their development without extensive physical testing.
Business value
- Accelerated development of sustainable energy storage: Quantum simulation enables faster discovery of high-performance materials, such as solid-state electrolytes and high-capacity anodes.
- Reduced R&D costs: Accurate modeling reduces reliance on costly trial-and-error experimentation in the lab.
- Competitive advantage: Proprietary materials developed through quantum methods offer a strategic edge
- Support for electrification and decarbonization: Better batteries and fuel cells enable cleaner transportation, grid storage, and industrial energy use.
Technology readiness
Quantum simulation is already being used in research and early-stage pilot projects. While today’s quantum computers are limited, hybrid quantum-classical approaches are making it possible to model materials with useful accuracy. Many energy and chemical companies are now integrating quantum tools into their R&D pipelines. Broader deployment will depend on further advances in quantum hardware and software over the next five to ten years.
Leading players and experiments
BASF and Volkswagen are working with quantum computing companies to discover next-generation battery materials, including solid-state components.
IBM and Microsoft offer cloud-based quantum platforms that allow researchers to run advanced material simulations relevant to energy storage.
TotalEnergies is exploring the use of quantum chemistry to improve the performance and sustainability of energy technologies, including fuel cells.
Discover more use cases here.
