Xanadu Publishes Quantum Algorithm for Simulating Photochemical Reactions

Insider Brief

• Xanadu Quantum Technologies Inc. published a preprint describing a quantum algorithm that reduces the resources required to simulate photochemical reactions on a fault-tolerant quantum computer.
• The algorithm simulates nuclear and electronic motion beyond the Born-Oppenheimer approximation, targeting nonadiabatic dynamics that are difficult for classical methods.
• For a benchmark reaction between ammonia and boron trifluoride, the approach shows more than an order-of-magnitude reduction in estimated quantum resource costs compared to prior methods.

PRESS RELEASE — Xanadu (Xanadu Quantum Technologies Inc.), a world leader in photonic quantum computing, today announced the publication of a quantum algorithm that significantly reduces the resource requirements to simulate photochemical reactions on a fault-tolerant quantum computer. Published as a pre-print research paper, “Efficient Simulation of Pre-Born-Oppenheimer Dynamics on a Quantum Computer,” this work provides a scalable path for investigating phenomena that are important for many applications, such as photolithography, sustainable energy, and atmospheric chemistry.

Most algorithms for chemistry rely on the Born-Oppenheimer approximation, which assumes that nuclear and electronic motions can be treated separately. While effective for many systems, this approximation fails in crucial scenarios where electronic states are closely coupled, such as in photochemical reactions. These reactions are critical in industries like energy, aerospace, and semiconductors. Xanadu’s new research utilizes a quantum algorithm that simulates both nuclear and electronic motion beyond the Born-Oppenheimer approximation, leading to accuracies beyond what is possible with classical computing.

Critically, these simulations have low resource requirements compared to prior state-of-the-art work. For a common acid-base reaction such as the reaction between ammonia and boron trifluoride, Xanadu’s quantum algorithm provides more than an order of magnitude reduction in cost compared to previous state-of-the-art results.

“Accurately simulating nonadiabatic dynamics remains a formidable challenge for classical computation. By significantly lowering the resource requirements for simulation on a fault-tolerant quantum computer, we are positioning this technology as an essential tool for photochemical processes found in many important industries,’” says Christian Weedbrook, Founder and Chief Executive Officer of Xanadu.

Xanadu’s quantum algorithm is particularly well-suited for reactions in organic and photo-organic systems, which is critical for progressing many important technologies. This research represents a foundational step towards Xanadu’s mission of building quantum computers that are useful and available to people everywhere.