Versatile Fidelity Estimation with Confidence.

As quantum devices become more complex and the requirements on these devices become more demanding, it is crucial to be able to verify the performance of such devices in a scalable and reliable fashion. A cornerstone task in this challenge is quantifying how close an experimentally prepared quantum state is to the desired one. Here we present a method to construct an estimator for the quantum state fidelity that is compatible with any measurement protocol. Our method provides a confidence interval on this estimator that is guaranteed to be nearly minimax optimal for the specified measurement protocol. For a well-chosen measurement scheme, our method is competitive in the number of measurement outcomes required for estimation. We demonstrate our method using simulations and experimental data from a trapped-ion quantum computer and compare the results to state-of-the-art techniques. Our method can be easily extended to estimate the expectation value of any observable, such as entanglement witnesses.

Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer.

We present the first hardware implementation of electrostatic interaction energies by using a trapped-ion quantum computer. As test system for our computation, we focus on the reduction of NO to N2O catalyzed by a nitric oxide reductase (NOR). The quantum computer is used to generate an approximate ground state within the NOR active space. To efficiently measure the necessary one-particle density matrices, we incorporate fermionic basis rotations into the quantum circuit without extending the circuit length, laying the groundwork for further efficient measurement routines using factorizations. Measurements in the computational basis are then used as inputs for computing the electrostatic interaction energies on a classical computer. Our experimental results strongly agree with classical noise-less simulations of the same circuits, finding electrostatic interaction energies within chemical accuracy despite hardware noise. This work shows that algorithms tailored to specific observables of interest, such as interaction energies, may require significantly fewer quantum resources than individual ground state energies would require in the straightforward supermolecular approach.