How quantum computers model molecules

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The very first proposals for quantum computing centered on its potential to simulate molecules and other quantum systems—a task that is still considered one of the technology’s most promising applications today. However, scaling these simulations to real-world use cases remains a major challenge. In this episode of The Coherence Times, we sit down with Cleveland Clinic’s Dr. Kennie Merz and IBM's Dr. Jamie Garcia to explore a new milestone in the field: the simulation of a protein with more than 12,000 atoms using state-of-the-art quantum–classical techniques. Together, they discuss why chemistry is such a natural fit for quantum computers, how researchers are simulating increasingly complex molecules on today’s quantum hardware, and what it will take to move from early demonstrations to practical applications in areas like drug discovery and materials science.

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