Matthias Rosenkranz

Testing the predictions of quantum mechanics has been one of the main experimental endeavors for decades. Recent advancements in technology led to a number of demonstrations which test non-classicality via specific computational tasks. Limitations of these experiments include dependence on complexity theory assumptions, susceptibility to hardware noise and inefficient verification, raising questions about their scalability. We propose to test non-classicality using a game based on complement sampling, an efficiently verifiable problem that achieves the largest possible separation between quantum and classical computation when both input and output represent samples from probability distributions. When restricting the input to instances inspired by the Bernstein-Vazirani problem, our game admits an exponentially large violation of classicality without relying on computational hardness assumptions. We execute the game on Quantinuum System Model H2 trapped-ion quantum computers, with experiments consisting of thousands of different circuits on up to 55 qubits. The observed scores can be explained by a systematic adoption of a quantum strategy, further corroborating the quantum nature of the hardware in an efficient and scalable way.

Quantifying correlation and entanglement between molecular orbitals can elucidate the role of quantum effects in strongly correlated reaction processes. However, accurately storing the wavefunction for a classical computation of those quantities can be prohibitive. Here we use the Quantinuum H1-1 trapped-ion quantum computer to calculate von Neumann entropies which quantify the orbital correlation and entanglement in a strongly correlated molecular system relevant to lithium-ion batteries (vinylene carbonate interacting with an O$_2$ molecule). As shown in previous works, fermionic superselection rules decrease correlations and reduce measurement overheads for constructing orbital reduced density matrices. Taking into account superselection rules we further reduce the number of measurements by finding commuting sets of Pauli operators. Using low overhead noise reduction techniques we calculate von Neumann entropies in excellent agreement with noiseless benchmarks, indicating that correlations and entanglement between molecular orbitals can be accurately estimated from a quantum computation. Our results show that the one-orbital entanglement vanishes unless opposite-spin open shell configurations are present in the wavefunction.

A fundamental step of any quantum algorithm is the preparation of qubit registers in a suitable initial state. Often qubit registers represent a discretization of continuous variables and the initial state is defined by a multivariate function. We develop protocols for preparing quantum states whose amplitudes encode multivariate functions by linearly combining block-encodings of Fourier and Chebyshev basis functions. Without relying on arithmetic circuits, quantum Fourier transforms, or multivariate quantum signal processing, our algorithms are simpler and more effective than previous proposals. We analyze requirements both asymptotically and pragmatically in terms of near/medium-term resources. Numerically, we prepare bivariate Student's t-distributions, 2D Ricker wavelets and electron wavefunctions in a 3D Coulomb potential, which are initial states with potential applications in finance, physics and chemistry simulations. Finally, we prepare bivariate Gaussian distributions on the Quantinuum H2-1 trapped-ion quantum processor using 24 qubits and up to 237 two-qubit gates.

Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum Eigensolver (F-VQE) which utilizes filtering operators to achieve faster and more reliable convergence to the optimal solution. Additionally we explore the use of causal cones to reduce the number of qubits required on a quantum computer. Using random weighted MaxCut problems, we numerically analyze our methods and show that they perform better than the original VQE algorithm and the Quantum Approximate Optimization Algorithm (QAOA). We also demonstrate the experimental feasibility of our algorithms on a Honeywell trapped-ion quantum processor.