Google: first quantum simulation of a chemical reaction

Energy predictions of molecular geometries by the Hartree-Fock model simulated on 10 qubits of the Sycamore processor. Credit: Googl

Researchers at Google’s AI Quantum team have used a quantum computer to simulate a chemical reaction, the Hartree-Fock approximation of a real chemical system, for the first time. The reaction is a simple one, but this marks a step towards finding a practical use for quantum computers.

The researchers simulated a diazene molecule, which consists of two nitrogen atoms and two hydrogen atoms, undergoing a reaction in which the hydrogen atoms move into different configurations around the nitrogens.

The quantum simulation agreed with simulations the researchers performed on classical computers to check their work. (NewScientist)

The paper has been published in Science.

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