Quemix and Mitsui Kinzoku Develop New Technology for Material Calculation on Quantum Computers

Quemix Inc., a subsidiary of TerraSky specializing in quantum computing algorithms and software, and Mitsui Kinzoku have announced the development of a new technology that significantly streamlines material development using quantum computers. Material development often requires extensive trial and error to discover high-performance materials, leading to significant time and cost challenges. While computer simulations have been utilized, there has been a demand for balancing higher analytical precision with shorter calculation times. This research focused on the Dynamical Mean Field Theory (DMFT) method, which is highly accurate but computationally intensive. To execute DMFT efficiently on quantum computers, the team constructed a new calculation flow and improved the performance of Quantum Phase Estimation (QPE). The newly developed technology, 'QAVG (QPE Averaged over Variable Grids),' is an improvement on QPE. While traditional QPE faced challenges where increasing energy resolution led to higher gate operations and costs, QAVG enables high-precision and high-speed DMFT calculations while suppressing cost increases. Simulations of catalyst materials on Quantinuum's quantum hardware achieved accuracy levels that were expected to take two years of hardware evolution to reach. The results will be presented at 'Q2B 2026 Tokyo' in June 2026.