Quantum chemistry is a key application area for noisy-intermediate scale quantum (NISQ) devices, and therefore serves as an important benchmark for current and future quantum computer performance. Previous benchmarks in this field have focused on variational methods for computing ground and excited states of various molecules, including a benchmarking suite focused on the performance of computing ground states for alkali-hydrides under an array of error mitigation methods. State-of-the-art methods to reach chemical accuracy in hybrid quantum-classical electronic structure calculations of alkali hydride molecules on NISQ devices from IBM are outlined here. It is demonstrated how to extend the reach of variational eigensolvers with symmetry preserving Ansätze. Next, it is outlined how to use quantum imaginary time evolution and Lanczos as a complementary method to variational techniques, highlighting the advantages of each approach. Finally, a new error mitigation method is demonstrated which uses systematic error cancellation via hidden inverse gate constructions, improving the performance of typical variational algorithms. These results show that electronic structure calculations have advanced rapidly, to routine chemical accuracy for simple molecules, from their inception on quantum computers a few short years ago, and they point to further rapid progress to larger molecules as the power of NISQ devices grows.

Accurate control of quantum systems requires precise measurement of the parameters that govern the dynamics, including control fields and interactions with the environment. Parameters will drift in time and experiments interleave protocols that perform parameter estimation with protocols that measure the dynamics of interest. Here we specialize to a system made of qubits where the dynamics correspond to a quantum computation. We propose setting aside some qubits, which we call spectator qubits, to be measured periodically during the computation, to act as probes of the changing experimental and environmental parameters. By using control strategies that minimize the sensitivity of the qubits involved in the computation, we can acquire sufficient information from the spectator qubits to update our estimates of the parameters and improve our control. As a result, we can increase the length of experiment where the dynamics of the data qubits are highly reliable. In particular, we simulate how spectator qubits can keep the error level of operations on data qubits below a 10 −4 threshold in two scenarios involving coherent errors: a classical magnetic field gradient dynamically decoupled with sequences of two or four π-pulses, and laser beam instability detected via crosstalk with neighboring atoms in an ion trap.

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