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Cleveland Clinic, RIKEN, and IBM Model a 12,635-Atom Protein - the Largest Known to Be Simulated with Quantum Computers
The hybrid approach cut computational overhead and let researchers model protein complexes roughly 40 times larger than six months ago.
On Tuesday, May 5, 2026, scientists at Cleveland Clinic, RIKEN, and IBM simulated a protein complex spanning 12,635 atoms using quantum-centric supercomputing, marking a milestone in quantum hardware's maturity as a scientific tool.
Quantum computers alone face size and error limitations, so researchers paired IBM Quantum Heron processors with Fugaku and Miyabi-G supercomputers to divide molecular simulation tasks between systems optimized for different computational problems.
The novel EWF-TrimSQD algorithm dramatically reduced computational overhead, enabling researchers to accurately represent the chemistry of large molecular systems on quantum hardware and push the frontier for quantum-centric supercomputing.
Kenneth Merz, lead author and staff scientist in the Computational Life Sciences Department, said the work "marks an important advance" for drug discovery, with protein simulations roughly 40 times larger than possible six months ago.
Junyu Liu, a researcher at the University in Pittsburgh, Pennsylvania, said the experiment offers "practical steps towards useful quantum calculations," potentially helping researchers predict how medicines interact with protein targets.