Research
Cleveland Clinic, RIKEN, and IBM Cross 12,000-Atom Barrier in Heterogeneous Quantum-Classical Drug Binding Simulations
Quantum Computing Report · By Mohamed Abdel-Kareem ·
The Brief
- Cleveland Clinic, RIKEN and IBM Quantum report the largest heterogeneous quantum-classical electronic-structure calculation to date.
- The calculation simulated protein-ligand complexes exceeding 12,000 atoms.
- The work used a 156-qubit IBM Heron r2 processor.
Why it matters
It shows hybrid quantum-classical methods can handle protein-ligand systems of over 12,000 atoms, a scale relevant to modelling how drug candidates bind to their targets.
Who’s affected
- computational chemists and drug discovery researchers
- quantum computing researchers working on chemistry applications
- IBM Heron r2
- #quantum-computing
- #drug-discovery
- #molecular-simulation
- #hybrid-computing
- #protein-ligand-binding
A collaboration between Cleveland Clinic, RIKEN, and IBM Quantum has achieved the largest heterogeneous quantum-classical (HQC) electronic-structure calculation to date, simulating protein-ligand complexes exceeding 12,000 atoms. This research utilized 156-qubit IBM Heron r2…
Timeline
Collaboration reported 12,000-atom heterogeneous quantum-classical drug binding simulation
Quantum Computing Report
Cleveland Clinic, RIKEN, and IBM Cross 12,000-Atom Barrier in Heterogeneous Quantum-Classical Drug Binding Simulations