Quantum Computer Helps Simulate a Protein with 12,000 Atoms

To develop new drugs, scientists search for molecules that can bind effectively to specific proteins in the body.

The challenge is that even the most advanced classical computer models can't fully capture the quantum effects at such a tiny scale—even supercomputers don't have enough power to compute everything directly. Quantum computers could theoretically solve these problems much faster, but today's systems still aren't powerful enough on their own.

Researchers from the Cleveland Clinic, RIKEN, and IBM found a workaround by combining the IBM Heron quantum processor with the Fugaku and Miyabi-G supercomputers—some of the most powerful computing systems in the world.

Each system handled the tasks it's best suited for. The supercomputers split the molecule into fragments and assembled the overall simulation, while the quantum Heron calculated the physics of the most complex regions, where classical methods tend to lose accuracy.

Using this hybrid approach, the team successfully simulated a protein complex containing 12,635 atoms—about 40 times larger than the team's previous record. Accuracy during one of the key stages improved by a factor of 210.

"For years, quantum computing has been a promise. Now, quantum computers are producing results that matter to science," says Jay Gambetta, director of IBM Research.

Do you believe quantum computers will become truly useful?

❤️ — Yes, they're the future
🤔 — So far, it feels like hype

@hiaimediaen