Quantum chemical calculations are among the most promising applications for quantum computing. Implementations of dedicated quantum algorithms on available quantum hardware were so far, however, mostly limited to comparatively simple systems without strong correlations. As such, they can also be addressed by classically efficient single-reference methods. Here we calculate the lowest energy eigenvalue of active space Hamiltonians of industrially relevant and strongly correlated metal chelates on trapped ion quantum hardware, and integrate the results into a typical industrial quantum chemical workflow to arrive at chemically meaningful properties. We are able to achieve chemical accuracy by training a variational quantum algorithm on quantum hardware, followed by a classical diagonalization in the subspace of states measured as outputs of the quantum circuit. This approach is particularly measurement-efficient, requiring 600 single-shot measurements per cost function evaluation on a ten qubit system, and allows for efficient post-processing to handle erroneous runs.

Over the last decade there have been many advances in studies of quantum walks (QWs) including a momentum-space QW recently realized in our spinor Bose-Einstein condensate system. This QW possessed behaviors that generally agreed with theoretical predictions; however, it also showed momentum distributions that were not adequately explained by the theory. We present a theoretical model which proves that the coherent dynamics of the spinor condensate is sufficient to explain the experimental data without invoking the presence of a thermal cloud of atoms as in the original theory. Our numerical findings are supported by an analytical prediction for the momentum distributions in the limit of zero-temperature condensates. This current model provides more complete explanations to the momentum-space QWs that can be applied to study quantum search algorithms and topological phases in Floquet-driven systems.

We report on a discrete-time quantum walk that uses the momentum of ultra-cold rubidium-87 atoms as the walk space and two internal atomic states as the coin degree of freedom. Each step of the walk consists of a coin toss (a microwave pulse) followed by a unitary shift operator (a resonant ratchet pulse). We carry out a comprehensive experimental study on the effects of various parameters, including the strength of the shift operation, coin parameters, noise, and initialization of the system on the behavior of the walk. The walk dynamics can be well controlled in our experiment; potential applications include atom interferometry and engineering asymmetric walks.

Randomness is the essence of many processes in nature and human society. It can provide important insights into phenomena as diverse as disease transmission, financial markets, and signal processing. Quantum randomness is intrinsically different from classical stochasticity since it is affected by interference and entanglement. This entanglement makes quantum walks promising candidates for the implementation of quantum computational algorithms and as a detector of quantum behavior. We present a discrete-time quantum walk that uses the momentum of ultra-cold rubidium atoms as the walk space and two internal atomic states as the degree of freedom. We demonstrate the principle features of a quantum walk, contrasting them to the behavior of a classical walk. By manipulating either the walk or coin operator we show how the walk dynamics can be biased or reversed. Our walk offers distinct advantages arising from the robustness of its dynamics in momentum space, and extendability to higher dimensions and many-body regimes.

We present a discrete-time, one-dimensional quantum walk based on the entanglement between the momentum of ultracold rubidium atoms (the walk space) and two internal atomic states (the "coin" degree of freedom). Our scheme is highly flexible and can provide a platform for a wide range of applications such as quantum search algorithms, the observation of topological phases, and the realization of walks with higher dimensionality. Along with the investigation of the quantum-to-classical transition, we demonstrate the distinctive features of a quantum walk and contrast them to those of its classical counterpart. Also, by manipulating either the walk or coin operator, we show how the walk dynamics can be steered or even reversed.

Randomness is the essence of many processes in nature and human society. It can provide important insights into phenomena as diverse as disease transmission, financial markets, and signal processing. Quantum randomness is intrinsically different from classical stochasticity since it is affected by interference and entanglement. This entanglement makes quantum walks promising candidates for the implementation of quantum computational algorithms and as a detector of quantum behavior. We present a discrete-time quantum walk that uses the momentum of ultra-cold rubidium atoms as the walk space and two internal atomic states as the degree of freedom. We demonstrate the principle features of a quantum walk, contrasting them to the behavior of a classical walk. By manipulating either the walk or coin operator we show how the walk dynamics can be biased or reversed. Our walk offers distinct advantages arising from the robustness of its dynamics in momentum space, and extendability to higher dimensions and many-body regimes.

We report on a discrete-time quantum walk that uses the momentum of ultra-cold rubidium-87 atoms as the walk space and two internal atomic states as the coin degree of freedom. Each step of the walk consists of a coin toss (a microwave pulse) followed by a unitary shift operator (a resonant ratchet pulse). We carry out a comprehensive experimental study on the effects of various parameters, including the strength of the shift operation, coin parameters, noise, and initialization of the system on the behavior of the walk. The walk dynamics can be well controlled in our experiment; potential applications include atom interferometry and engineering asymmetric walks.