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Engineered dissipative reservoirs have the potential to steer many-body quantum systems toward correlated steady states useful for quantum simulation of high-temperature superconductivity or quantum magnetism. Using up to 49 superconducting qubits, we prepared low-energy states of the transverse-field Ising model through coupling to dissipative auxiliary qubits. In one dimension, we observed long-range quantum correlations and a ground-state fidelity of 0.86 for 18 qubits at the critical point. In two dimensions, we found mutual information that extends beyond nearest neighbors. Lastly, by coupling the system to auxiliaries emulating reservoirs with different chemical potentials, we explored transport in the quantum Heisenberg model. Our results establish engineered dissipation as a scalable alternative to unitary evolution for preparing entangled many-body states on noisy quantum processors.

Undesired coupling to the surrounding environment destroys long-range correlations on quantum processors and hinders the coherent evolution in the nominally available computational space. This incoherent noise is an outstanding challenge to fully leverage the computation power of near-term quantum processors. It has been shown that benchmarking Random Circuit Sampling (RCS) with Cross-Entropy Benchmarking (XEB) can provide a reliable estimate of the effective size of the Hilbert space coherently available. The extent to which the presence of noise can trivialize the outputs of a given quantum algorithm, i.e. making it spoofable by a classical computation, is an unanswered question. Here, by implementing an RCS algorithm we demonstrate experimentally that there are two phase transitions observable with XEB, which we explain theoretically with a statistical model. The first is a dynamical transition as a function of the number of cycles and is the continuation of the anti-concentration point in the noiseless case. The second is a quantum phase transition controlled by the error per cycle; to identify it analytically and experimentally, we create a weak link model which allows varying the strength of noise versus coherent evolution. Furthermore, by presenting an RCS experiment with 67 qubits at 32 cycles, we demonstrate that the computational cost of our experiment is beyond the capabilities of existing classical supercomputers, even when accounting for the inevitable presence of noise. Our experimental and theoretical work establishes the existence of transitions to a stable computationally complex phase that is reachable with current quantum processors.

An important measure of the development of quantum computing platforms has been the simulation of increasingly complex physical systems. Prior to fault-tolerant quantum computing, robust error mitigation strategies are necessary to continue this growth. Here, we study physical simulation within the seniority-zero electron pairing subspace, which affords both a computational stepping stone to a fully correlated model, and an opportunity to validate recently introduced ``purification-based'' error-mitigation strategies. We compare the performance of error mitigation based on doubling quantum resources in time (echo verification) or in space (virtual distillation), on up to $20$ qubits of a superconducting qubit quantum processor. We observe a reduction of error by one to two orders of magnitude below less sophisticated techniques (e.g. post-selection); the gain from error mitigation is seen to increase with the system size. Employing these error mitigation strategies enables the implementation of the largest variational algorithm for a correlated chemistry system to-date. Extrapolating performance from these results allows us to estimate minimum requirements for a beyond-classical simulation of electronic structure. We find that, despite the impressive gains from purification-based error mitigation, significant hardware improvements will be required for classically intractable variational chemistry simulations., Comment: 10 pages, 13 page supplementary material, 12 figures. Experimental data available at https://doi.org/10.5281/zenodo.7225821

We present novel roulette schemes for rare-event sampling that are both structure-preserving and unbiased. The boundaries where Monte Carlo markers are split and deleted are placed automatically and adapted during runtime. Extending existing codes with the new schemes is possible without severe changes because the equation of motion for the markers is not altered. These schemes can also be applied in the presence of nonlinear and nonlocal coupling between markers. As an illustrative application, we have implemented this method in the ASCOT-RFOF code, used to simulate fast-ion generation by radio-frequency waves in fusion plasmas. In this application, with this method the Monte-Carlo noise level for typical fast-ion energies can be reduced at least of one order of magnitude without increasing the computational effort.

We report on the discovery and validation of TOI 813b (TIC 55525572 b), a transiting exoplanet identified by citizen scientists in data from NASA's Transiting Exoplanet Survey Satellite (TESS) and the first planet discovered by the Planet Hunters TESS project. The host star is a bright (V = 10.3 mag) subgiant ($R_\star=1.94\,R_\odot$, $M_\star=1.32\,M_\odot$). It was observed almost continuously by TESS during its first year of operations, during which time four individual transit events were detected. The candidate passed all the standard light curve-based vetting checks, and ground-based follow-up spectroscopy and speckle imaging enabled us to place an upper limit of $2 M_{Jup}$ (99 % confidence) on the mass of the companion, and to statistically validate its planetary nature. Detailed modelling of the transits yields a period of $83.8911_{ - 0.0031 } ^ { + 0.0027 }$ days, a planet radius of $6.71 \pm 0.38$ $R_{\oplus}$, and a semi major axis of $0.423_{ - 0.037 } ^ { + 0.031 }$ AU. The planet's orbital period combined with the evolved nature of the host star places this object in a relatively under-explored region of parameter space. We estimate that TOI-813b induces a reflex motion in its host star with a semi-amplitude of $\sim6$ ms$^{-1}$, making this system a promising target to measure the mass of a relatively long-period transiting planet., Comment: Accepted for publication in MNRAS (16 pages, 10 figures, 3 tables)

The magnetic and electronic properties of metal phthalocyanines (MPc) and fluorinated metal phthalocyanines (F$_{16}$MPc) are studied by means of spin density functional theory (SDFT). Several metals (M) such as Ca, all first d-row transition metals and Ag are investigated. By considering different open shell transition metals it is possible to tune the electronic properties of MPc, in particular the electronic molecular gap and total magnetic moment. Besides assigning the structural and electronic properties of MPc and F$_{16}$MPc, the vibrational modes analysis of the ScPc\textendash ZnPc series have been studied and correlated to experimental measurements when available., Comment: 28 pages (preprint style), several figures

Ambipolar charge carrier transport in Copper phthalocyanine (CuPc) is studied experimentally in field-effect transistors and metal-insulator-semiconductor diodes at various temperatures. The electronic structure and the transport properties of CuPc attached to leads are calculated using density functional theory and scattering theory at the non-equilibrium Green's function level. We discuss, in particular, the electronic structure of CuPc molecules attached to gold chains in different geometries to mimic the different experimental setups. The combined experimental and theoretical analysis explains the dependence of the mobilityand the transmission coefficient on the charge carrier type (electrons or holes) and on the contact geometry. We demonstrate the correspondence between our experimental results on thick films and our theoretical studies of single molecule contacts. Preliminary results for fluorinated CuPc are discussed., Comment: 18 pages, 16 figures; to be published in Eur. Phys. J. Special Topics

The metal-insulator transition and the problem of d-electron delocalization are investigated in the pyrite system NiS_{2-x}Se_x under pressure using density functional theory (DFT). We test several approximations, including the generalized gradient approximation (GGA), the GGA+U approach, and hybrid functionals. In addition we apply the GW approximation and perform Hartree-Fock calculations. The important role of the chalcogen dimers in the electronic structure is discussed within GGA, which sufficiently describes the role of the lattice in the metal-insulator transition. In addition, the magnetic phase diagram is determined. However, the electronic properties are inadequately described -- the insulating ground state of NiS_2 cannot be obtained -- and the magnetic order is slightly overestimated. If correlations are taken into account within GGA+U, the insulator is found, but the non-magnetic ground state of the doped samples is not accessible. Mixing Fock exchange with local approximations as GGA correctly reproduce the insulating ground state in NiS_2, and metallic ground states with doping and pressure. The insulator is -- in contrast to earlier suggestions -- of Mott type, i. e. the gap opens between Ni 3d {eg} states. Due to the Fock term, the magnetic order is strongly overestimated. The applied GW calculations are not able to correct the metallic character of NiS_2 and underestimate the gap by one order of magnitude., Comment: 13 pages, 6 figures

We present results of electronic structure and transport calculations for metallic interfaces, based on density functional theory and the non-equilibrium Green's functions method. Starting from the electronic structure of smooth Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies and metallic impurities., Comment: 15 pages, 10 figures

The charge redistribution at grain boundaries determines the applicability of high-Tc superconductors in electronic devices, because the transport across the grains can be hindered considerably. We investigate the local charge transfer and the modification of the electronic states in the vicinity of the grain-grain interface by first principles calculations for a (normal-state) 45^o tilted [001] grain boundary in YBa2Cu3O7. Our results explain the suppressed interface transport and the influence of grain boundary doping in a quantitative manner, in accordance with the experimental situation. The charge redistribution is found to be strongly inhomogeneous, which has a substantial effect on transport properties since it gives rise to a self-doping of 0.10 (+/- 0.02) holes per Cu atom., Comment: 5 pages, 4 figures

Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice distortion in order to clarify their interplay. We first study the interface relaxation by a multi-layer system without surface, and the surface effects, separately, by a substrate-film system. While elongation of the TiO6 octahedra at the interface enhances the metallicity, reduction of the film thickness has the opposite effect due to a growing charge depletion. The interplay of these two effects, as reflected by the full lattice relaxation in the substrate-film system, however, strongly depends on the film thickness. An inversion of the TiO6 distortion pattern for films thinner than four LaAlO3 layers results in an insulating state., Comment: 10 pages, 7 figures, accepted by Europhysics Letters

Charge redistribution at high-Tc superconductor interfaces and grain boundaries on the one hand is problematic for technological application. On the other hand, it gives rise to a great perspective for tailoring the local electronic states. For prototypical (metallic) interfaces, we derive quantitative results for the intrinsic doping of the CuO2-planes, i.e. for the deviation of the charge carrier density from the bulk value. Our data are based on ab-initio supercell calculations within density functional theory. A remarkable hole-underdoping is inherent to the clean interface, almost independent of the interface geometry. On the contrary, cation substitution as well as incorporation of electronegative impurities can compensate the intrinsic charge transfer and provide access to an exact adjustment of the superconductor's doping. The effects of oxygen deficiency are discussed., Comment: 5 pages, 6 figures, accepted by Phys. Rev. B

We study the decay of interface induced structural and electronic relaxation effects in epitaxial LaAlO3/SrTiO3 heterostructures. The results are based on first-principles band structure calculations for a multilayer configuration with an ultrathin LaAlO3 layer sandwiched between bulk-like SrTiO3 layers. We carry out the structure optimization for the heterointerface and investigate the electronic states of the conducting interface layer, which is found to extend over two SrTiO3 unit cells. The decay of atomic displacements is analyzed as a function of the distance to the interface, and the resulting exponential law is evaluated quantitatively.

By means of band structure calculations within the density functional theory and the generalized gradient approximation, we investigate the electronic structure of self-organized Pt nanowires on the Ge(001) surface. In particular, we deal with a novel one-dimensional surface state confined in the nanowire array and clarify its origin. Due to large Pt contributions, the novel state is rather a mixed Ge-Pt hybrid state than a confined Ge surface state. Moreover, we compare our results to data from scanning tunneling microscopy., Comment: 3 pages, 3 figures, accepted by Eur. Phys. J. B

We report on a comprehensive study of the electronic and magnetic structure of the striped nickelate La5/3Sr1/3NiO4. The investigation is carried out using band structure calculations based on density functional theory. A magnetic structure compatible with experiment is obtained from spin-polarized calculations within the generalized gradient approximation (GGA), whereas inclusion of a local Coulomb interaction in the LDA+U framework results in a different ground state. The influence of the various interaction parameters is discussed in detail., Comment: 5 pages, 4 figures, 2 tables, accepted by Europhys. Lett

We report on surface effects on the electronic properties of interfaces in epitaxial LaAlO$_3$/SrTiO$_3$ heterostructures. Our results are based on first-principles electronic structure calculations for well-relaxed multilayer configurations, terminated by an ultrathin LaAlO$_3$ surface layer. On varying the thickness of this layer, we find that the interface conduction states are subject to almost rigid band shifts due to a modified Fermi energy. Confirming experimental data, the electronic properties of heterointerfaces therefore can be tuned systematically by alterating the surface-interface distance. We expect that this mechanism is very general and applies to most oxide heterostructures., Comment: 10 pages, 3 figures, accepted by Europhys. Lett

By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO_2 spin-chains, as found in the (La,Ca,Sr)_14Cu_24O_41system, for instance. Our data rely on spin-polarized electronic structure calculations including onsite interaction (LDA+U) and an effective model for the interchain coupling. Strong doping dependence of the magnetic order is characteristic for edge-sharing CuO_2 spin-chains. We determine the ground state magnetic structure as function of the spin-chain filling and quantify the competing exchange interactions., Comment: 5 pages, 2 figures, 3 tables, accepted by Phys. Rev. Lett

Using the Hubbard chain at quarter filling as a model system, we study the ground state properties of highly doped antiferromagnets. In particular, the Hubbard chain at quarter filling is unstable against 2k_F- and 4k_F-periodic potentials, leading to a large variety of charge and spin ordered ground states. Employing the density matrix renormalization group method, we compare the energy gain of the ground state induced by different periodic potentials. For interacting systems the lowest energy is found for a 2k_F-periodic magnetic field, resulting in a band insulator with spin gap. For strong interaction, the 4k_F-periodic potential leads to a half-filled Heisenberg chain and thus to a Mott insulating state without spin gap. This ground state is more stable than the band insulating state caused by any non-magnetic 2k_F-periodic potential. Adding more electrons, a cluster-like ordering is preferred., Comment: 8 pages, 5 figures, accepted by Phys. Rev. B

It is generally accepted that relativistic jet outflows power the nonthermal emission from active galactic nuclei (AGN). The composition of these jets -- leptonic versus hadronic -- is still under debate. We investigate the microphysical details of the conversion process of the kinetic energy in collimated relativistic pair outflows into radiation through interactions with the ambient interstellar medium. Viewed from the coordinate system comoving with the pair outflow, the interstellar protons and electrons represent a proton-electron beam propagating with relativistic speed in the pair plasma. We demonstrate that the beam excites both electrostatic and low-frequency magnetohydrodynamic Alfven-type waves via a two-stream instability in the pair background plasma, and we calculate the time evolution of the distribution functions of the beam particles and the generated plasma wave turbulence power spectra. For standard AGN jet outflow and environment parameters we show that the initial beam distributions of interstellar protons and electrons quickly relax to plateau-distributions in parallel momentum, transferring thereby one-half of the initial energy density of the beam particles to electric field fluctuations of the generated electrostatic turbulence. On considerably longer time scales, the plateaued interstellar electrons and protons will isotropise by their self-generated transverse turbulence and thus be picked-up in the outflow pair plasma. These longer time scales are also characteristic for the development of transverse hydromagnetic turbulence from the plateaued electrons and protons. This hydromagnetic turbulence upstream and downstream is crucial for diffusive shock acceleration to operate at external or internal shocks associated with pair outflows., Comment: A&A in press

Using the density matrix renormalization group (DMRG) method, we study the quantum coherence in one-dimensional disordered Fermi systems. We consider in detail spinless fermions on a ring, and compare the influence of several kinds of impurities in a gapless and a dimerized, gapped system. In the translation-invariant system a so-called site-impurity, which can be realized by a local potential or a change of one link, increases for repulsive interaction and decreases for attractive interaction. The weakening of two neighboring bonds, which is a realization of a so-called bond-impurity, on the other hand, is healed for repulsive interaction, but enhanced for intermediate attractive interactions. This leads to strong suppression of the quantum coherence measured by the phase sensitivity, but not to localization. Adding a local distortion to a dimerized system we find that even the presence of a single site-impurity increases the metallic region found in the dimerized model. For a strong dimerization and a high barrier, an additional sharp maximum, even seen for systems with about 100 sites, occurs in the phase sensitivity. A bond-impurity in the dimerized system also opens a small metallic window in the otherwise isolating regime., Comment: 15 pages, 8 figures, replaced by final version, Journal-ref. added

Active galactic nuclei (AGN) are known as sources of high energy gamma-rays. The emission probably results from non-thermal radiation of relativistic jets belonging to the AGN. Earlier investigations of these processes have suggested that neutrinos are among the radiation products of the jets and may be used to discriminate between hadrons and leptons as primary particles for the production of the high energy emission. It is shown that the neutrino flux is correlated with the flux of TeV gamma-rays. This allows to distinctly search for neutrino emissions from the jets of AGN by using the TeV gamma-ray light curves to drastically reduce the temporal and spatial parameter space. Given the observed TeV photon fluxes from nearby BL Lacs the neutrino signal from AGN may be detectable with future neutrino observatories as least as sensitive as IceCube., Comment: Accepted for publication in A&A, 10 pages, 27 PS figures

Using the density matrix renormalization group algorithm, we investigate the lattice model for spinless fermions in one dimension in the presence of a strong interaction and disorder. The phase sensitivity of the ground state energy is determined with high accuracy for systems up to a size of 60 lattice constants. This quantity is found to be log-normally distributed. The fluctuations grow algebraically with system size with a universal exponent of ~2/3 in the localized region of the phase diagram. Surprizingly, we find, for an attractive interaction, a delocalized phase of finite extension. The boundary of this delocalized phase is determined., Comment: 5 pages, 6 figures, revtex