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.

Ring expansion vs. addition - reactivity of a cyclo-P4 complex towards pnictogenium cations.

A systematic study on the reactivity of the cyclo-P4 complexes [CpRTa(CO)2(η4-P4)] towards pnictogenium cations results in the formation of functionalised interpnictogen cations. Phosphenium ions insert into one of the P-P bonds to give ring-expanded cyclo-P5R2 products. In contrast, an arsenium-functionalised P4AsCy2 ligand displays an interesting borderline case between ring expansion and coordination, while stibenium cations afford addition products. Tuning of the steric and electronic properties of the stibenium ion shows a drastic influence on the reaction outcome.

Entangling logical qubits with lattice surgery.

The development of quantum computing architectures from early designs and current noisy devices to fully fledged quantum computers hinges on achieving fault tolerance using quantum error correction1-4. However, these correction capabilities come with an overhead for performing the necessary fault-tolerant logical operations on logical qubits (qubits that are encoded in ensembles of physical qubits and protected by error-correction codes)5-8. One of the most resource-efficient ways to implement logical operations is lattice surgery9-11, where groups of physical qubits, arranged on lattices, can be merged and split to realize entangling gates and teleport logical information. Here we report the experimental realization of lattice surgery between two qubits protected via a topological error-correction code in a ten-qubit ion-trap quantum information processor. In this system, we can carry out the necessary quantum non-demolition measurements through a series of local and entangling gates, as well as measurements on auxiliary qubits. In particular, we demonstrate entanglement between two logical qubits and we implement logical state teleportation between them. The demonstration of these operations-fundamental building blocks for quantum computation-through lattice surgery represents a step towards the efficient realization of fault-tolerant quantum computation.

Experimental deterministic correction of qubit loss.

The successful operation of quantum computers relies on protecting qubits from decoherence and noise, which-if uncorrected-will lead to erroneous results. Because these errors accumulate during an algorithm, correcting them is a key requirement for large-scale and fault-tolerant quantum information processors. Besides computational errors, which can be addressed by quantum error correction1-9, the carrier of the information can also be completely lost or the information can leak out of the computational space10-14. It is expected that such loss errors will occur at rates that are comparable to those of computational errors. Here we experimentally implement a full cycle of qubit loss detection and correction on a minimal instance of a topological surface code15,16 in a trapped-ion quantum processor. The key technique used for this correction is a quantum non-demolition measurement performed via an ancillary qubit, which acts as a minimally invasive probe that detects absent qubits while imparting the smallest quantum mechanically possible disturbance to the remaining qubits. Upon detecting qubit loss, a recovery procedure is triggered in real time that maps the logical information onto a new encoding on the remaining qubits. Although the current demonstration is performed in a trapped-ion quantum processor17, the protocol is applicable to other quantum computing architectures and error correcting codes, including leading two- and three-dimensional topological codes. These deterministic methods provide a complete toolbox for the correction of qubit loss that, together with techniques that mitigate computational errors, constitute the building blocks of complete and scalable quantum error correction.

Characterizing large-scale quantum computers via cycle benchmarking.

Quantum computers promise to solve certain problems more efficiently than their digital counterparts. A major challenge towards practically useful quantum computing is characterizing and reducing the various errors that accumulate during an algorithm running on large-scale processors. Current characterization techniques are unable to adequately account for the exponentially large set of potential errors, including cross-talk and other correlated noise sources. Here we develop cycle benchmarking, a rigorous and practically scalable protocol for characterizing local and global errors across multi-qubit quantum processors. We experimentally demonstrate its practicality by quantifying such errors in non-entangling and entangling operations on an ion-trap quantum computer with up to 10 qubits, and total process fidelities for multi-qubit entangling gates ranging from [Formula: see text] for 2 qubits to [Formula: see text] for 10 qubits. Furthermore, cycle benchmarking data validates that the error rate per single-qubit gate and per two-qubit coupling does not increase with increasing system size.

Real-time dynamics of lattice gauge theories with a few-qubit quantum computer.

Gauge theories are fundamental to our understanding of interactions between the elementary constituents of matter as mediated by gauge bosons. However, computing the real-time dynamics in gauge theories is a notorious challenge for classical computational methods. This has recently stimulated theoretical effort, using Feynman's idea of a quantum simulator, to devise schemes for simulating such theories on engineered quantum-mechanical devices, with the difficulty that gauge invariance and the associated local conservation laws (Gauss laws) need to be implemented. Here we report the experimental demonstration of a digital quantum simulation of a lattice gauge theory, by realizing (1 + 1)-dimensional quantum electrodynamics (the Schwinger model) on a few-qubit trapped-ion quantum computer. We are interested in the real-time evolution of the Schwinger mechanism, describing the instability of the bare vacuum due to quantum fluctuations, which manifests itself in the spontaneous creation of electron-positron pairs. To make efficient use of our quantum resources, we map the original problem to a spin model by eliminating the gauge fields in favour of exotic long-range interactions, which can be directly and efficiently implemented on an ion trap architecture. We explore the Schwinger mechanism of particle-antiparticle generation by monitoring the mass production and the vacuum persistence amplitude. Moreover, we track the real-time evolution of entanglement in the system, which illustrates how particle creation and entanglement generation are directly related. Our work represents a first step towards quantum simulation of high-energy theories using atomic physics experiments-the long-term intention is to extend this approach to real-time quantum simulations of non-Abelian lattice gauge theories.