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The simulation of fermionic systems is among the most anticipated applications of quantum computing. We performed several quantum simulations of chemistry with up to one dozen qubits, including modeling the isomerization mechanism of diazene. We also demonstrated error-mitigation strategies based on N-representability that dramatically improve the effective fidelity of our experiments. Our parameterized ansatz circuits realized the Givens rotation approach to noninteracting fermion evolution, which we variationally optimized to prepare the Hartree-Fock wave function. This ubiquitous algorithmic primitive is classically tractable to simulate yet still generates highly entangled states over the computational basis, which allowed us to assess the performance of our hardware and establish a foundation for scaling up correlated quantum chemistry simulations.

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Quantum algorithms offer a dramatic speedup for computational problems in material science and chemistry. However, any near-term realizations of these algorithms will need to be optimized to fit within the finite resources offered by existing noisy hardware. Here, taking advantage of the adjustable coupling of gmon qubits, we demonstrate a continuous two-qubit gate set that can provide a threefold reduction in circuit depth as compared to a standard decomposition. We implement two gate families: an imaginary swap-like (iSWAP-like) gate to attain an arbitrary swap angle, θ, and a controlled-phase gate that generates an arbitrary conditional phase, ϕ. Using one of each of these gates, we can perform an arbitrary two-qubit gate within the excitation-preserving subspace allowing for a complete implementation of the so-called Fermionic simulation (fSim) gate set. We benchmark the fidelity of the iSWAP-like and controlled-phase gate families as well as 525 other fSim gates spread evenly across the entire fSimðθ; ϕÞ parameter space, achieving a purity-limited average two-qubit Pauli error of 3.8 × 10 −3 per fSim gate.

Quantum scrambling Information spreading in interacting quantum systems is of relevance to a wide range of settings, from black holes to strange metals. Mi et al . used the Sycamore quantum processor to study this process. Through judicial design of quantum circuits, the researchers were able to separate the contributions of operator spreading and operator entanglement. Measuring the mean value and fluctuations of a specific correlator enabled quantifying these distinct contributions. —JS

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