Cleveland Clinic Team Simulates Largest Biomolecule with Quantum Computers

A team of researchers from Cleveland Clinic, RIKEN, and IBM has made significant progress in simulating large biomolecules using quantum computers. They achieved this by combining classical and quantum computing methods, a framework known as quantum-centric supercomputing.

The team's work, led by Kenneth Merz Jr., focused on improving computation in drug discovery. To do so, they tackled two major challenges: modeling the movement of atoms during biological processes and accurately calculating their energies.

The researchers used IBM Quantum Heron processors to run calculations alongside some of the world's most powerful supercomputers, Fugaku at RIKEN and Miyabi-G operated by the University of Tokyo and University of Tsukuba. They were able to simulate a 12,635-atom protein, the largest known to be modeled using quantum computers.

The team's innovative approach has expanded the potential of quantum-centric supercomputing in life sciences research, pushing the frontiers of what is possible. Their work demonstrates a path towards more accurate calculations and prediction of how medicines interact with protein targets.