- A research team has used quantum computing in fusion materials research
- The study has modeled nine FLiBe molecular configurations
- Work supports DOE’s Genesis Mission
Scientists from the Department of Energy’s Oak Ridge National Laboratory, Cleveland Clinic and IBM have used quantum computing to calculate molecular configurations of a fusion material used in tritium research.
IBM said Monday scientists calculated nine molecular configurations of FLiBe, a liquid salt containing fluorine, lithium and beryllium that is considered a leading candidate material for extracting tritium fuel in fusion reactors. The findings were detailed in a paper published on arXiv.
Tom Beck, section head for science engagement in ORNL’s Computing and Computational Sciences Directorate, said the work supports DOE’s Genesis Mission, which seeks to accelerate scientific discovery by integrating high-performance computing, artificial intelligence and quantum computing.
“Quantum computers, such as those built by IBM and enhanced by AI and exascale computing, are key tools that accelerate the discovery and design cycles needed to produce sufficient tritium to fuel fusion reactors,” Beck stated.
What Did the Researchers Accomplish?
The team used quantum-centric supercomputing to enable quantum and classical computers to work together in calculating different FLiBe configurations with and without tritium.
The approach enabled researchers to determine the material’s electronic structure and evaluate how its atoms interact with tritium at the molecular level. IBM said the workflow also identified the range of atomic configurations and measured properties, such as binding strength and binding mechanisms.
Kenneth Merz, a staff scientist at Cleveland Clinic and corresponding author of the paper, said the research extends techniques previously applied to large-scale biological simulations into materials science to explore fusion-related systems. He added that combining quantum computing, AI and high-performance computing can help researchers address complex scientific problems with greater speed and precision.
Jerry Chow, chief technology officer of quantum-centric supercomputing at IBM, said integrating quantum, AI and classical computing is important for addressing scientific challenges and added that the results further demonstrate the practical application of quantum-centric supercomputing in scientific research.
What Comes Next for the Collaboration?
The research team will continue improving the workflow by reducing the time required to transfer data between quantum and classical computing resources while increasing the size of molecular interactions that can be simulated.
According to IBM, the long-term objective is to enable the fusion energy community to use the workflow to design and verify materials for future fusion systems.
How Does the Research Align With IBM’s Quantum Computing Efforts?
The latest research follows IBM’s announcement in June of a potential $10 billion investment over five years to support quantum computing research, development and commercialization.
The company said the planned investment will advance its quantum computing roadmap, including the delivery of IBM Quantum Starling, a fault-tolerant quantum computer targeted for 2029. IBM is also collaborating with Cisco to develop quantum hardware and software designed to connect large-scale fault-tolerant quantum computers and address foundational challenges for a future quantum computing internet.
Separately, ORNL and Purdue University finalized a memorandum of understanding in October to continue their partnership and expand joint research initiatives in national security, including AI, quantum computing and cyber-physical security of infrastructure.
