In a significant advancement for drug discovery, researchers are now able to simulate a protein complex comprising 12,635 atoms. This achievement stems from the ongoing quest to identify molecules that can effectively interact with specific proteins in the human body. The primary difficulty lies in the limitations of classical computing systems, which struggle to fully account for quantum effects at such a minuscule scale—supercomputers, despite their immense power, cannot compute everything directly. Although quantum computers hold the potential for faster solutions, current models lack the requisite capabilities to operate independently. A collaborative effort involving teams from the Cleveland Clinic, RIKEN, and IBM has led to a novel solution. They utilized the IBM Heron quantum processor in conjunction with the Fugaku and Miyabi-G supercomputers—some of the most advanced computing systems available. Each component was assigned tasks aligned with its strengths; the supercomputers fragmented the molecule and managed the overall simulation, while the Heron quantum processor tackled the intricate physics of the most complex areas, where traditional methods often falter. With this innovative hybrid strategy, the research team achieved a simulation that is approximately 40 times larger than their previous record. Notably, accuracy during a critical phase of the simulation improved by a remarkable factor of 210. Jay Gambetta, the director of IBM Research, remarked, "For years, quantum computing has been a promise. Now, quantum computers are producing results that matter to science." As the field progresses, opinions vary on the future usefulness of quantum computers, with some believing they herald a new era, while others remain skeptical.
Informational material. 18+.
