Christian B. Mendl

Variational compression can significantly lower implementation overheads for encoding the time evolution of Hamiltonians into quantum circuits. However, they usually lack global convergence guarantees and well-established scaling behavior. In this work, we provide a recipe for choosing the initial point of such variational optimizations that guarantees convergence to a quantum circuit with near-optimal gate complexity $\mathcal{O}\left( N \, t \, \text{polylog}(N \, t/ε) \right)$ for all local and translationally invariant Hamiltonians. We demonstrate our method by encoding the globally controlled time evolution of a Heisenberg antiferromagnet on a Kagome lattice. For $N = 48$ sites, evolution time $t=0.1$ and infidelity $ε\approx1\%$, the controlled time-evolution circuit requires 960 two-qubit B gates, for which we propose a straightforward implementation scheme for ion-trap setups. Thereby, our recipe extends digital quantum simulators toward system sizes and geometries that are challenging for classical computation.

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high accuracy would have a profound impact on material and biochemical science with potential applications e.g., to the development of new drugs. However, considering the variety of quantum hardware architectures, it is still uncertain which hardware concept is most suited to execute the VQE for e.g., the simulation of molecules. Aspects to consider here are the required connectivity of the quantum circuit used, the size and the depth and thus the susceptibility to noise effects. Besides theoretical considerations, empirical studies using available quantum hardware may help to clarify the question of which hardware technology might be better suited for a certain given application and algorithm. Going one step into this direction, within this work, we present results using the VQE for the simulation of the hydrogen molecule, comparing superconducting and ion trap quantum computers. The experiments are carried out with a standardized setup of ansatz and optimizer, selected to reduce the amount of iterations required. The findings are analyzed considering different quantum processor types, calibration data as well as the depth and gate counts of the circuits required for the different hardware concepts after transpilation.