Cleveland Clinic, RIKEN, and IBM Model a 12,635-Atom Protein - the Largest Known to Be Simulated with Quantum Computers
Scientists at Cleveland Clinic, RIKEN, and IBM used IBM quantum computers and supercomputers to simulate protein complexes up to 12,635 atoms, the largest-known simulations of biologically meaningful molecules with quantum hardware. The breakthrough was achieved using an innovative algorithm that optimizes quantum and classical computers working together.
Scientists at Cleveland Clinic, RIKEN, and IBM simulated protein complexes up to 12,635 atoms using IBM quantum computers and two powerful supercomputers. This is the largest-known simulation of biologically meaningful molecules with quantum hardware. The team used an innovative algorithm that optimizes quantum and classical computers working together, known as quantum-centric supercomputing. Classical computers broke down protein-ligand complexes into fragments, while IBM's 156-qubit IBM Quantum Heron processors calculated the quantum-mechanical behavior of those pieces. The simulation captured the behavior of two biochemically relevant proteins, 40 times larger than previously possible. The accuracy of the simulations improved by up to 210 times over six months.
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