Quantum Computing Breakthrough Boosts Catalyst Design in Plastics Production

Researchers from The Researchers Corporation, IBM Research, and Quanta Computer Inc. have developed a new computational method that merges quantum computing with established techniques to improve catalyst design in industrial chemical processes.

The hybrid approach combines Sample-Based Quantum Diagonalization (SQD) with Tailored Coupled Cluster theory (TCC(T)) to account for static correlation, which is crucial for predicting selectivity in complex titanium catalysts used in plastics production.

With this method, the researchers achieved relative energy calculations within one kilocalorie per mole, a significant improvement over previous results that were unreliable for industrial applications.