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3d ago

Quantum Computer Simulates Real-Time Light-Driven Molecular Reactions

University of Sydney researchers achieve a breakthrough in quantum simulation, capturing ultrafast chemical dynamics in real molecules using a highly efficient trapped-ion method.

Inside the trapped-ion quantum computer at the University of Sydney Nano Institute.
Previously, quantum computers could mainly calculate unchanging aspects of molecules, like their energy levels. (Representational image)
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Overview

  • For the first time, scientists have used quantum computing to simulate real-time chemical dynamics in molecules exposed to light, marking a major milestone in quantum chemistry.
  • The study employed a single trapped-ion analog quantum simulator, achieving simulations with unprecedented resource efficiency compared to traditional digital methods.
  • This method captures ultrafast electronic and vibrational changes in molecules, processes that classical computers struggle to model accurately or efficiently.
  • Applications of this breakthrough include advancing cancer research, designing better sunscreens, understanding DNA damage from UV, and improving solar energy technologies.
  • The findings, published in the Journal of the American Chemical Society, lay the foundation for scaling quantum simulations to more complex molecular systems.