Quantum Computing Makes “Impossible” View of Molecules a Reality
What if you could see inside a rocket engine as it ignites? Witness the ways molecules change and interact in a controlled explosion as they lift spacecraft to orbit?
It’s an impossible thing to actually do, of course, but researchers using the power of quantum computing are helping us view the inner workings of extreme chemistry that, until now, were largely unknown.
A new research paper coauthored by Lockheed Martin and IBM engineers details an important advancement in the quest to model complex molecules. By pairing quantum capabilities with classical computing methods, researchers are beginning to simulate increasingly complex molecules that were previously too costly, dangerous or difficult to study in the real world.
Unlike traditional computing, which struggles with the massive number of variables involved in representing a molecule, quantum computing offers a fundamentally different approach. By using increasingly advanced quantum computers to simulate these quantum systems, researchers will be able to create full digital twins of highly reactive molecules and predict how they behave.
Modeling molecules in this way can help advance a number of technologies. For example, simulating how molecules interact with light could help scientists better identify the composition of asteroids and comets in the solar system, uncovering new understanding about the building blocks of planets or identifying potential hazards. It could even be used to help develop more efficient rocket fuel and better rockets so future generations can mine those asteroids. By leveraging quantum technology to build better models of molecules, researchers can experiment virtually, before anything is built (or burned), reducing time, risk and cost.
The recent collaboration with IBM demonstrated the ability to accurately model unstable molecular species—a significant leap beyond past quantum efforts to simulate simple molecules like water or hydrogen gas. It’s early work, but it’s foundational. Much like artificial intelligence has transformed image recognition, quantum computing is poised to transform how we understand the materials that power and protect our world.
Learn more about the work of Lockheed Martin and IBM to advance quantum computing: