Twelve qubit quantum computing for chemistry

Accurate electronic structure calculations are considered to be one of the most anticipated applications of the quantum computer, which will revolutionize theoretical chemistry and other related fields. Using the Google Sycamore quantum processor, Google AI Quantum and co-workers performed a Variational Quantum Eigenolver (VQE) simulation of two medium-scale chemical problems: the binding energy of hydrogen chains (as large as H12) and the isomerization mechanism of diazole (see Yuan's perspective ). The simulations were performed on up to 12 qubits with up to 72 two-qubit gates and show that it is possible to achieve chemical accuracy when VQE is combined with strategies to minimize errors. The key components of the proposed VQE algorithm are potentially scalable to larger systems that cannot be simulated in the classic way.

Science, P. 1084; see also p. 1054