Australian scientists use quantum computer to simulate real-time chemical reactions-Xinhua

Australian scientists use quantum computer to simulate real-time chemical reactions

Source: Xinhua

Editor: huaxia

2025-05-15 18:42:45

SYDNEY, May 15 (Xinhua) -- Australian scientists have used a quantum computer to simulate how real molecules behave when exposed to light, opening the door to faster drug development, solar energy, and medical treatments, the University of Sydney said on Thursday.

The research team successfully ran the quantum simulation on a trapped-ion quantum computer at the university's Nanoscience Hub, marking the first time quantum technology has accurately modelled the real-time chemical dynamics of actual molecules, said a press release issued by the university on Thursday.

The team achieved this using a highly efficient quantum system, marking the first practical demonstration of quantum computing's power to model complex, light-driven molecular processes, something classical computers struggle to do, said the University of Sydney quantum chemist Ivan Kassal.

Until now, quantum computers could only calculate static properties of molecules, such as energy levels. But simulating the fast, light-induced changes in molecules, essential in processes like photosynthesis, UV damage to DNA, and photodynamic cancer therapies, was beyond reach, according to the study published in the Journal of the American Chemical Society.

"Our approach is about a million times more resource-efficient, enabling complex chemical dynamics to be studied with far fewer resources than previously thought possible," Kassal said, adding the implications are far-reaching, providing better tools to design photoactive drugs, UV-protective materials, and next-generation solar technologies.

The study represents a major step toward practical quantum chemistry and real-world applications of quantum computing, which could revolutionize medicine, energy, and materials science, he said.