Table of contents

We present a general mathematical procedure to handle interactions described by a Morse potential in the presence of a strong harmonic excitation. We account for permanent and field-induced terms and their gradients in the dipole moment function, and we derive analytic formulae for the bond-length change and for the shifted energy eigenvalues of the vibrations, by using the Kramers–Henneberger frame. We apply these results to the important cases of H₂ and LiH, driven by a near- or mid-infrared laser in the 10¹³ W cm⁻² intensity range.

Spin pumping from a metallic ferromagnet (FM) into an insulating antiferromagnet has been studied across the magnetic phase transition by means of temperature-dependent, broad-band ferromagnetic resonance (FMR) experiments. A set of spin pumping heterostructures consisting of Permalloy (Ni₈₀Fe₂₀) as FM and Zn$_{1-x}$Co_xO with $x = 0.3, 0.5$ and 0.6 (Co:ZnO) as partially compensated antiferromagnetic insulator has been used for which previous experiments have already pointed out the possibility of the existence of spin-pumping. The present experiments allow to reliably separate the various contributions of the temperature-dependent Gilbert damping parameter to the FMR line-width. A careful analysis of the obtained data demonstrates a significant increase of the temperature-dependence of the Gilbert damping parameter $\alpha(T)$ around the magnetic phase transition of Co:ZnO which extends up to room temperature, confirming spin pumping into the fluctuating spin sink of an antiferromagnetic/paramagnetic insulator.

Quantum contextuality is one of the most recognized resources in quantum communication and computing scenarios. We provide a new quantifier of this resource, the rank of contextuality (RC). We define RC as the minimum number of non-contextual behaviors that are needed to simulate a contextual behavior. We show that the logarithm of RC is a natural contextuality measure satisfying several properties considered in the spirit of the resource-theoretic approach. The properties include faithfulness, monotonicity, and additivity under tensor product. We also give examples of how to construct contextual behaviors with an arbitrary value of RC exhibiting a natural connection between this quantifier and the arboricity of an underlying hypergraph. We also discuss exemplary areas of research in which the new measure appears as a natural quantifier.

Designing optimal control pulses that drive a noisy qubit to a target state is a challenging and crucial task for quantum engineering. In a situation where the properties of the quantum noise affecting the system are dynamic, a periodic characterization procedure is essential to ensure the models are updated. As a result, the operation of the qubit is disrupted frequently. In this paper, we propose a protocol that addresses this challenge by making use of a spectator qubit to monitor the noise in real-time. We develop a machine-learning-based quantum feature engineering approach for designing the protocol. The complexity of the protocol is front-loaded in a characterization phase, which allow real-time execution during the quantum computations. We present the results of numerical simulations that showcase the favorable performance of the protocol.

To achieve efficient and reliable control of microscopic systems one should look for driving protocols that mitigate both the average dissipation and stochastic fluctuations in work. This is especially important in fast driving regimes in which the system is driven far out of equilibrium, potentially creating large amounts of unwanted entropy production. Here we characterise these optimal protocols in rapidly driven classical and quantum systems and prove that they consist of two discontinuous jumps in the full set of control variables. These jumps can be tuned to interpolate between processes with either minimal dissipation or minimal fluctuations, and in some situations allow for simultaneous minimisation. We illustrate our general results with rapidly driven closed quantum systems, classical bit erasure and a dissipative Ising chain driven close to a quantum phase transition.

We identify the multiparameter sensitivity of entangled spin states, such as spin-squeezed and Dicke states that are spatially distributed into several addressable spatial modes. Analytical expressions for the spin-squeezing matrix of families of states that are accessible by current atomic experiments reveal the quantum gain in multiparameter metrology, as well as the optimal strategies to maximize the sensitivity gain for the estimation of any linear combination of parameters. We further study the mode entanglement of these states by deriving a witness for genuine k-partite mode entanglement from the spin-squeezing matrix. Our results highlight the advantage of mode entanglement for distributed sensing, and outline optimal protocols for multiparameter estimation with nonclassical spatially-distributed spin ensembles. We illustrate our findings with the design of a protocol for gradient sensing with a Bose–Einstein condensate in an entangled spin state in two modes.

Non-locality is not only one of the most prominent quantum features but can also serve as a resource for various information-theoretical tasks. Analysing it from an information-theoretical perspective has linked it to applications such as non-adaptive measurement-based quantum computing (NMQC). In this type of quantum computing the goal is to output a multivariate function. The success of such a computation can be related to the violation of a generalised Bell inequality. So far, the investigation of binary NMQC with qubits has shown that quantum correlations can compute all Boolean functions using at most $2^n-1$ qubits, whereas local hidden variables (LHVs) are restricted to linear functions. Here, we extend these results to NMQC with qutrits and prove that quantum correlations enable the computation of all three-valued logic functions using the generalised qutrit Greenberger–Horne–Zeilinger (GHZ) state as a resource and at most $3^n-1$ qutrits. This yields a corresponding generalised GHZ type paradox for any three-valued logic function that LHVs cannot compute. We give an example for an n-variate function that can be computed with only n + 1 qutrits, which leads to convenient generalised qutrit Bell inequalities whose quantum bound is maximal. Finally, we prove that not all functions can be computed efficiently with qutrit NMQC by presenting a counterexample.

Cooperative behavior in multi-agent systems has been a focal point of research, particularly in the context of pairwise interaction games. While previous studies have successfully used reinforcement learning rules to explain and predict the behavior of agents in two-agent interactions, multi-agent interactions are more complex, and the impact of reward mechanisms on agent behavior is often overlooked. To address this gap, we propose a framework that combines the public goods game (PGG) with reinforcement learning and adaptive reward mechanisms to better capture decision-making behavior in multi-agent interactions. In that, PGG is adopted to reflect the decision-making behavior of multi-agent interactions, self-regarding Q-learning emphasizes an experience-based strategy update, and adaptive reward focuses on the adaptability. We are mainly concentrating on the synergistic effects of them. The simulations demonstrate that while self-regarding Q-learning fails to prevent the collapse of cooperation in the traditional PGG, the fraction of cooperation increases significantly when the adaptive reward strategy is included. Meanwhile, the theoretical analyses aligned with our simulation results, which revealed that there is a specific reward cost required to maximize the fraction of cooperation. Overall, this study provides a novel perspective on establishing cooperative reward mechanisms in social dilemmas and highlights the importance of considering adaptive reward mechanisms in multi-agent interactions.

Coherent quantum transduction between microwave and optical signals is of great importance for long-distance quantum communication. Here we propose a novel scheme for the implementation of nonreciprocal single-photon state conversion between microwave and optical modes based on a hybrid magnonic system. A yttrium–iron–garnet (YIG) sphere with both the optomechanical and the optomagnetic properties is exploited to couple with a three-dimensional superconducting microwave resonator. The magnetostatic mode of the YIG sphere is treated as an intermediate to interact with the microwave and optical modes simultaneously. By manipulating the amplitudes and phase differences between the couplings via external driving fields, we show that the nonreciprocal microwave-light single-photon state conversion can be realized via the quantum interference effect.

We report our method for transporting ultracold atoms over macroscopic distances and trapping them back in a vertical mixed trap, consisting of the superposition of a vertical lattice and a transverse confinement beam. The transport is performed with Bloch oscillations allowing us to move up to $25\%$ of a sub-micro-Kelvin atomic cloud on a distance of the order of 30 cm, without excessive heating and with an excellent control of its final position. The efficiency is lowered to about $10\%$ after trapping them in the vertical mixed trap during extended times.

This paper investigates generalized thermodynamic relationships in physical systems where relevant macroscopic variables are determined by the exponential Kolmogorov–Nagumo average. We show that while the thermodynamic entropy of such systems is naturally described by Rényi's entropy with parameter γ, an ordinary Boltzmann distribution still describes their statistics under equilibrium thermodynamics. Our results show that systems described by exponential Kolmogorov–Nagumo averages can be interpreted as systems originally in thermal equilibrium with a heat reservoir with inverse temperature β that are suddenly quenched to another heat reservoir with inverse temperature $\beta^{^{\prime}} = (1-\gamma)\beta$. Furthermore, we show the connection with multifractal thermodynamics. For the non-equilibrium case, we show that the dynamics of systems described by exponential Kolmogorov–Nagumo averages still observe a second law of thermodynamics and the H-theorem. We further discuss the applications of stochastic thermodynamics in those systems—namely, the validity of fluctuation theorems—and the connection with thermodynamic length.

The present work aims to improve both the experimental and the data evaluation procedures necessary for a determination of L-subshell atomic fundamental parameters (FPs). The main motivation lies in the fact that the established approach, consisting of a sequential evaluation of recorded transmission and fluorescence spectra in the vicinity of the three L-absorption edges, provides relatively large uncertainties for the Coster–Kronig (CK) factors. Up to now, reliable uncertainty budgets were in the order of 15%–100% and more. The novel holistic evaluation procedure addresses these large uncertainties, by employing a much larger experimental dataset extending far above the L₁ absorption edge and a combined evaluation approach for a more reliable determination of the CK factors. Here, using the Ru-L shells as an example, their uncertainties are reduced to under 15%. In addition, this enables also the determination of other relevant FP data, such as the L-subshell Auger yields, the L-subshell photoionization cross sections as well as the L-subshell fluorescence production cross sections with significantly lower uncertainties as compared to the established approach.

A crucial step in the race towards quantum advantage is optimizing quantum annealing using ad-hoc annealing schedules. Motivated by recent progress in the field, we propose to employ long-short term memory neural networks to automate the search for optimal annealing schedules for random Ising models on regular graphs. By training our network using locally-adiabatic annealing paths, we are able to predict optimal annealing schedules for unseen instances and even larger graphs than those used for training.

Polyatomic molecules have been identified as sensitive probes of charge-parity violating and parity violating physics beyond the Standard Model (BSM). For example, many linear triatomic molecules are both laser-coolable and have parity doublets in the ground electronic $\tilde{X} {}^2\Sigma^+ (010)$ state arising from the bending vibration, both features that can greatly aid BSM searches. Understanding the $\tilde{X} {}^2\Sigma^+ (010)$ state is a crucial prerequisite to precision measurements with linear polyatomic molecules. Here, we characterize the fundamental bending vibration of ${}^{174}$YbOH using high-resolution optical spectroscopy on the nominally forbidden $\tilde{X} {}^2\Sigma^+ (010)$${}\rightarrow{}\tilde{A}{}^2\Pi_{1/2}(000)$ transition at 588 nm. We assign 39 transitions originating from the lowest rotational levels of the $\tilde{X} {}^2\Sigma^+ (010)$ state, and accurately model the state's structure with an effective Hamiltonian using best-fit parameters. Additionally, we perform Stark and Zeeman spectroscopy on the $\tilde{X} {}^2\Sigma^+ (010)$ state and fit the molecule-frame dipole moment to $D_\mathrm{mol} = 2.16(1)$D and the effective electron g-factor to $g_S = 2.07(2)$. Further, we use an empirical model to explain observed anomalous line intensities in terms of interference from spin–orbit and vibronic perturbations in the excited $\tilde{A}{}^2\Pi_{1/2}(000)$ state. Our work is an essential step toward searches for BSM physics in YbOH and other linear polyatomic molecules.

The ultra-strong light field trapped in micro- and nanostructures, and derived from optical bound states in the continuums (BICs), provides a new platform for the facilitation of light–matter interactions. In this work, the spontaneous emission enhancement of quantum emitters using magnetic quasi-BICs metasurfaces is numerically studied. It is found that ultrahigh Purcell factor (PF) (${\gt}10^5$) can be easily achieved when the asymmetry parameter decreases. In theory, infinite PF may emerge due to the infinite Q-factor at the BICs. In addition, the PF exhibits a strong dependence on the polarization direction of dipole emitter and the local field distribution in the metasurface. Finally, the photoluminescence enhancement for different perturbation parameters is calculated to confirm strong Purcell effect in the quasi-BICs metasurface. These results show that the magnetic dipole BICs mode holds an enormous potential in manipulating spontaneous emission.

Using the quantum information model of dynamical diffraction we consider a neutron cavity composed of two perfect crystal silicon blades capable of containing the neutron wavefunction. We show that the internal confinement of the neutrons through Bragg diffraction can be modelled by a quantum random walk. Furthermore, we introduce a toolbox for modelling crystal imperfections such as surface roughness and defects. Good agreement is found between the simulation and the experimental implementation, where leakage beams are present, modelling of which is impractical with the conventional theory of dynamical diffraction. Analysis of the standing neutron waves is presented in regards to the crystal geometry and parameters; and the conditions required for well-defined bounces are derived. The presented results enable new approaches to studying the setups utilizing neutron confinement, such as the experiments to measure neutron magnetic and electric dipole moments.

The effects of dust–dust self-gravitational force and nonextensive characteristics of plasma species on the low frequency twisted waves owing to the helical wave structure in complex (dusty) plasmas are analyzed. The electrons and ions of the plasma are modelled by nonextensive q-distribution function while massive dust particles are Maxwellian distributed. The self-gravitational effects are incorporated in the Vlasov equation of kinetic theory where perturbed distribution function, electrostatic and gravitational potentials are expressed with Laguerre–Gauss functions. The governing equations of kinetic theory are solved together under paraxial approximations. The dispersion relations and damping rates of twisted dust-acoustic waves (TDAWs) are obtained for two situations; (a) super-extensivity (q < 1) and (b) sub-extensivity (q > 1). The effects of self-gravity, nonextensivity and twist parameter significantly modified the basic features of dust-acoustic waves. This study contributes to our understanding of the complex dynamics of TDAWs in interstellar dust clouds, considering the interplay of self-gravity, nonextensivity, and helical phase structures. The obtained theoretical and numerical results provide valuable insights into the behavior of these waves and offer a foundation for further investigations in this field. However, understanding of the topic can be enhanced through a combination of theoretical models, numerical simulations and observational data.

Gate-level quantum circuits are often derived manually from higher level algorithms. While this suffices for small implementations and demonstrations, ultimately automatic circuit design will be required to realise complex algorithms using hardware-specific operations and connectivity. Therefore, ab initio creation of circuits within a machine, either a classical computer or a hybrid quantum–classical device, is of key importance. We explore a range of established and novel techniques for the synthesis of new circuit structures, the optimisation of parameterised circuits, and the efficient removal of low-value gates via the quantum geometric tensor. Using these techniques we tackle the tasks of automatic encoding of unitary processes and translation (recompilation) of a circuit from one form to another. Using emulated quantum computers with various noise-free gate sets we provide simple examples involving up to 10 qubits, corresponding to 20 qubits in the augmented space we use. Further applications of specific relevance to chemistry modelling are considered in a sister paper, 'Exploiting subspace constraints and ab initio variational methods for quantum chemistry'. The emulation environments used were QuEST, QuESTlink and pyQuEST. All resources will be made openly accessible and are currently available upon request.

Variational methods offer a highly promising route to exploiting quantum computers for chemistry tasks. Here we employ methods described in a sister paper to the present report, entitled exploring ab initio machine synthesis of quantum circuits, in order to solve problems using adaptively evolving quantum circuits. Consistent with prior authors we find that this approach can outperform human-designed circuits such as the coupled-cluster or hardware-efficient ansätze, and we make comparisons for larger instances up to 14 qubits Moreover we introduce a novel approach to constraining the circuit evolution in the physically relevant subspace, finding that this greatly improves performance and compactness of the circuits. We consider both static and dynamics properties of molecular systems. The emulation environment used is QuESTlink all resources are open source and linked from this paper.

Quantum coherence will undoubtedly play a fundamental role in understanding of the dynamics of quantum many-body systems, thereby to reveal its genuine contribution is of great importance. In this paper, we specialize our discussions to the one-dimensional transverse field quantum Ising model initialized in the coherent Gibbs state. After quenching the strength of the transverse field, the effects of quantum coherence are studied by the rate function of quantum work distribution. We find that quantum coherence not only recovers the quantum phase transition destroyed by thermal fluctuations, but also generates some entirely new singularities both in the static state and dynamics. It can be manifested that these singularities are rooted in spin flips causing the sudden change of the domain boundaries of spin polarization. This work sheds new light on the fundamental connection between quantum critical phenomena and quantum coherence.