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Recent progress with microfabricated quantum devices has revealed that an ubiquitous source of noise originates in tunneling material defects that give rise to a sparse bath of parasitic two-level systems (TLSs). For superconducting qubits, TLSs residing on electrode surfaces and in tunnel junctions account for a major part of decoherence and thus pose a serious roadblock to the realization of solid-state quantum processors. Here, we utilize a superconducting qubit to explore the quantum state evolution of coherently operated TLSs in order to shed new light on their individual properties and environmental interactions. We identify a frequency-dependence of TLS energy relaxation rates that can be explained by a coupling to phononic modes rather than by anticipated mutual TLS interactions. Most investigated TLSs are found to be free of pure dephasing at their energy degeneracy points, around which their Ramsey and spin-echo dephasing rates scale linearly and quadratically with asymmetry energy, respectively. We provide an explanation based on the standard tunneling model, and identify interaction with incoherent low-frequency (thermal) TLSs as the major mechanism of the pure dephasing in coherent high-frequency TLS.

We study dephasing of a superconducting qubit due to quasiparticle tunneling through a Josephson junction. While qubit decay due to tunneling processes is well understood within a golden rule approximation, pure dephasing due to BCS quasiparticles gives rise to a divergent golden rule rate. We calculate qubit dephasing due to quasiparticle tunneling beyond lowest order approximation in coupling between qubit and quasiparticles. Summing up a certain class of diagrams we show that qubit dephasing due to purely longitudinal coupling to quasiparticles leads to a dephasing \\(\\sim \\exp(-x(t))\\) where \\(x(t)\\) is not linear in time on short time scales while it tends towards a selfconsistent calculated dephasing rate for longer times.

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying electronic structure problem with exponentially less effort than a classical computer thus enabling highly accurate predictions for comparably large molecular systems. In the nearer future, however, only \"noisy\" devices with a limited number of qubits that are subject to decoherence will be available. For such near-term quantum computers the hybrid quantum-classical variational quantum eigensolver algorithm in combination with the unitary coupled-cluster ansatz (UCCSD-VQE) has become an intensively discussed approach that could provide accurate results before the dawn of error-tolerant quantum computing. In this work we present an implementation of UCCSD-VQE that allows for the first time to treat both open- and closed-shell molecules. We study the accuracy of the obtained energies for nine small molecular systems as well as for four exemplary chemical reactions by comparing to well-established electronic structure methods like (non-unitary) coupled-cluster and density functional theory. Finally, we roughly estimate the required quantum hardware resources to obtain \"useful\" results for practical purposes.

Variational algorithms are promising candidates to be implemented on near-term quantum computers. The variational quantum eigensolver (VQE) is a prominent example, where a parametrized trial state of the quantum mechanical wave function is optimized to obtain the ground state energy. In our work, we investigate the variational Hamiltonian Ansatz (VHA), where the trial state is given by a non-interacting reference state modified by unitary rotations using generators that are part of the Hamiltonian describing the system. The lowest energy is obtained by optimizing the angles of those unitary rotations. A standard procedure to optimize the variational parameters is to use gradient-based algorithms. However, shot noise and the intrinsic noise of the quantum device affect the evaluation of the required gradients. We studied how different methods for obtaining the gradient, specifically the finite-difference and the parameter-shift rule, are affected by shot noise and noise of the quantum computer. To this end, we simulated a simple quantum circuit, as well as the 2-site and 6-site Hubbard model.

We consider the extent to which a noisy quantum computer is able to simulate the time evolution of a quantum spin system in a faithful manner. Given a specific set of assumptions regarding the manner in which noise acting on such a device can be modelled at the circuit level, we show how the effects of noise can be reinterpreted as a modification to the dynamics of the original system being simulated. In particular, we find that this modification corresponds to the introduction of static Lindblad noise terms, which act in addition to the original unitary dynamics. The form of these noise terms depends not only on the underlying noise processes occurring on the device, but also on the original unitary dynamics, as well as the manner in which these dynamics are simulated on the device, i.e., the choice of quantum algorithm. We call this effectively simulated open quantum system the noisy algorithm model. Our results are confirmed through numerical analysis.

In this paper we present a quantum algorithm that uses noise as a resource. The goal of our quantum algorithm is the calculation of operator averages of an open quantum system evolving in time. Selected low-noise system qubits and noisy bath qubits represent the system and the bath of the open quantum system. All incoherent qubit noise can be mapped to bath spectral functions. The form of the spectral functions can be tuned digitally, allowing for the time evolution of a wide range of open-system models at finite temperature. We study the feasibility of this approach with a focus on the solution of the spin-boson model and assume intrinsic qubit noise that is dominated by damping and dephasing. We find that classes of open quantum systems exist where our algorithm performs very well, even with gate errors as high as 1%. In general the presented algorithm performs best if the system-bath interactions can be decomposed into native gates.

We study an analog quantum simulator coupled to a reservoir with a known spectral density. The reservoir perturbs the quantum simulation by causing decoherence. The simulator is used to measure an operator average, which cannot be calculated using any classical means. Since we cannot predict the result, it is difficult to estimate the effect of the environment. Especially, it is difficult to resolve whether the perturbation is small or if the actual result of the simulation is in fact very different from the ideal system we intend to study. Here, we show that in specific systems a measurement of additional correlators can be used to verify the reliability of the quantum simulation. The procedure only requires additional measurements on the quantum simulator itself. We demonstrate the method theoretically in the case of a single spin connected to a bosonic environment.

Digital quantum simulations offer exciting perspectives for the study of fermionic systems such as molecules or lattice models. However, with quantum error correction still being out of reach with present-day technology, a non-vanishing error rate is inevitable. We study the influence of gate errors on simulations of the Trotterized time evolution of the quantum system with focus on the fermionic Hubbard model. Specifically, we consider the effect of stochastic over-rotations in the applied gates. Depending on the particular algorithm implemented such gate errors may lead to a time evolution that corresponds to a disordered fermionic system, or they may correspond to unphysical errors, e.g., violate particle number conservation. We substantiate our analysis by numerical simulations of model systems. In addition we establish the relation between the gate fidelity and the strength of the over-rotations in a Trotterized quantum simulation. Based on this we provide estimates for the maximum number of Trotter steps which can be performed with sufficient accuracy for a given algorithm. This in turn implies, apart from obvious limitations on the maximum time of the simulation, also limits on the system size which can be handled.

Well-controlled quantum systems can potentially be used as quantum simulators. However, a quantum simulator is inevitably perturbed by coupling to additional degrees of freedom. This constitutes a major roadblock to useful quantum simulations. So far there are only limited means to understand the effect of perturbation on the results of quantum simulation. Here, we present a method which, in certain circumstances, allows for the reconstruction of the ideal result from measurements on a perturbed quantum simulator. We consider extracting the value of the correlator \\(\\langle\\hat{O}^i(t) \\hat{O}^j(0)\\rangle\\) from the simulated system, where \\(\\hat{O}^i\\) are the operators which couple the system to its environment. The ideal correlator can be straightforwardly reconstructed by using statistical knowledge of the environment, if any \\(n\\)-time correlator of operators \\(\\hat{O}^i\\) of the ideal system can be written as products of two-time correlators. We give an approach to verify the validity of this assumption experimentally by additional measurements on the perturbed quantum simulator. The proposed method can allow for reliable quantum simulations with systems subjected to environmental noise without adding an overhead to the quantum system.

Simulation of interacting electron systems is one of the great challenges of modern quantum chemistry and solid state physics. Controllable quantum systems offer the opportunity to create artificial structures which mimic the system of interest. An interesting quantity to extract from these quantum simulations is the spectral function. We map a noisy quantum simulator onto a fermionic system and investigate the influence of decoherence on the simulation of the spectral density using a diagrammatic approach on Keldysh contour. We show that features stronger than the single-qubit decoherence rate can be resolved, while weaker features wash out. For small systems, we compare our Keldysh approach to master-equation calculations.