Quantum Computing Opens a New Gateway For Science

We all have read about atoms and how they react with one another to form molecule, but even with mighty electronic microscopes, no one was able to evidently see that happening. Well that’s not the case anymore.

Researchers at the University of Sydney have achieved a groundbreaking result by performing the world’s first real-time simulation of a molecular reaction using quantum technology. This milestone marks a crucial advancement in the field of quantum computing and how it could unimaginably benefit science. 

In the future, we could expect it to intricate dynamics of how atoms interact to form new compounds or respond to light. The research, headed by quantum chemist Professor Ivan Kassal and Physics Horizon Fellow Dr Tingrei Tan, opens up exciting possibilities for quantum-powered innovations across medicine, energy, and materials science.

Until now, quantum computers have primarily been employed to calculate the static properties of molecules, such as their energy levels. However, the dynamic, time-dependent behaviors of molecules during chemical reactions were never expected to be revealed. But the research team’s quantum simulation accurately captured the ultrafast electronic and vibrational changes that occur during these light-induced processes, a landmark that was never achieved before.

Professor Kassal explained that their new approach allows for the simulation of the complete dynamics of the interaction between light and chemical bonds. The implications of this breakthrough are far-reaching. 

The ability to simulate chemical reactions and dynamics in real-time under the influence of light has numerous potential applications. It could help us deeply understand the fundamental processes like photosynthesis and UV-induced DNA damage. Ultimately, helping technologies such as cancer therapies, sunscreen formulations, and solar energy harvesting. 

The study builds upon the team’s previous research from 2023, where they simulated abstract generic quantum dynamics by artificially slowing the process down by a factor of 100 billion. In this new work, they applied a similar approach to simulate the dynamics of three real molecules – allene (C₃H₄), butatriene (C₄H₄), and pyrazine (C₄N₂H₄) – after they absorbed light.

Professor Kassal noted that their approach is approximately a million times more resource-efficient. So, if enough is invested into it, it’d pave the way for the study of complex chemical dynamics with far fewer resources than previously deemed possible.