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In May 2026, a groundbreaking collaboration between the Cleveland Clinic in the United States, IBM, and Japan's RIKEN led to the successful simulation of a protein-small molecule complex comprising 12,635 atoms. This feat was accomplished using two IBM Heron quantum computers alongside two supercomputers, Fugaku and Yabi-G, thereby setting a new benchmark for the largest molecule ever simulated with quantum hardware. The scale of this simulation is a staggering 40 times greater than the previous record. Moreover, it was conducted in an aqueous environment, rendering it more akin to authentic biological conditions. Leveraging a hybrid computing architecture, the team dedicated over 100 hours to the task, achieving results with precision on par with mainstream classical algorithms. This milestone paves a fresh avenue for the pragmatic application of quantum computing.
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