Abstract: The large, error-correcting quantum computers envisioned today could be decades away, yet experts are vigorously trying to come up with ways to use existing and near-term quantum processors to solve useful problems despite limitations due to errors or “noise.”

A key envisioned use is simulating molecular properties. In the long run, this can lead to advances in materials improvement and drug discovery. But not with noisy calculations confusing the results.

Now, a team of Virginia Tech chemistry and physics researchers have advanced quantum simulation by devising an algorithm that can more efficiently calculate the properties of molecules on a noisy quantum computer. Virginia Tech College of Science faculty members Ed Barnes, Sophia Economou, and Nick Mayhall recently published a paper in Nature Communications detailing the advancement.