Cleveland Clinic and IBM Use Hybrid Quantum Computing to Simulate Molecules

Insider Brief

• Cleveland Clinic and IBM researchers used a hybrid quantum-classical model to simulate supramolecular interactions, achieving chemically accurate results for protein folding, membrane assembly, and cell signaling.
• The team applied quantum-centric supercomputing, combining IBM Quantum System One outputs with classical high-performance computing to calculate molecular energies efficiently.
• This approach reduces computational time and cost while opening possibilities for more complex molecular simulations, advancing drug development and biomedical research.

PRESS RELEASE — A team led by Cleveland Clinic’s Kenneth Merz, PhD, and IBM’s Antonio Mezzacapo, PhD, is developing quantum computing methods to simulate and study supramolecular processes that guide how entire molecules interact with each other.  

In their study, published in Nature Communications Physics, researchers focused on molecules’ noncovalent interactions, especially…