How Supercomputers and Quantum Tech Are Revolutionizing Materials Science

At Lawrence Livermore, cutting-edge supercomputing drives rapid, high-fidelity predictions of material properties, accelerating the design of batteries, capacitors, hydrogen storage systems, and ultra-wide bandgap electronics. By simulating billions of atoms, researchers explore materials under extreme conditions, model energetic materials safely, and connect atomic-scale interactions to device-level performance. Multiscale computational frameworks guide experiments, uncovering why materials behave as they do and informing next-generation designs. Looking ahead, quantum computing promises to revolutionize materials modeling and even optimize qubit technologies, creating a powerful feedback loop between computation and materials innovation. And at the heart of it all is a vibrant, interdisciplinary community pushing the boundaries of what’s possible.