How quantum computers model molecules

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About the episode
How quantum computers model molecules

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.

The opinions expressed in this podcast are solely the views of the participants and do not necessarily reflect the views of IBM or any other organization or entity.

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Host and speakers of the episode:

Illustrated Profile icon
Dr. Kenneth Merz
Staff Scientist, Cleveland Clinic Center for Computational Life Sciences
Jamie Garcia on stage
Jamie Garcia
Director, Strategic Growth and Quantum Partnerships
Ryan Mandelbaum
Ryan Mandelbaum
Host

Topics we discussed during the episode

What is quantum computing?

Quantum computing is an emergent field of computer science and engineering that harnesses the unique qualities of quantum mechanics to solve problems beyond the ability of even the most powerful classical computers.

Sample-based quantum diagonalization of a chemistry Hamiltonian

Explore the simulation method for yourself with our tutorial on IBM Quantum Platform. Tutorial page.

Cleveland Clinic’s large-scale protein simulation work with IBM

A team from Cleveland Clinic, RIKEN, and IBM used two IBM quantum computers and two supercomputers to model biologically relevant molecules at scale.

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