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The competitive environment of universities has increased the application of managerial practices such as human resource management. However, little research exists regarding the effects of these practices on knowledge workers. The study attempts to contribute to fill this gap, examining the effect of high-performance work practices (HPWP) on academic research productivity (ARP). A survey was completed by 442 researchers and the analysis supported a positive relationship between the adoption of HPWP and ARP. Specifically, HPWP promoting education, training and autonomy, and teamwork are better antecedents of ARP than practices focusing on performance management, reward systems, and selection. [ABSTRACT FROM AUTHOR]

A conceptually appealing and computationally economical course-grained molecular-orbital (MO) theory for extended quasilinear molecular heterostructures is presented. The formalism, which is based on a straightforward adaptation, by including explicitly the vacuum, of the envelope-function approximation widely employed in solid-state physics leads to a mapping of the three-dimensional single-particle eigenvalue equations into simple one-dimensional hole and electron Schrödinger-like equations with piecewise-constant effective potentials and masses. The eigenfunctions of these equations are envelope MO's in which the short-wavelength oscillations present in the full MO's, associated with the atomistic details of the molecular potential, are smoothed out automatically. The approach is illustrated by calculating the envelope MO's of high-lying occupied and low-lying virtual π states in prototypical nanometric heterostructures constituted by oligomers of polyacetylene and polydiacetylene. Comparison with atomistic electronic-structure calculations reveals that the envelope-MO energies agree very well with the energies of the π MO's and that the envelope MO's describe precisely the long-wavelength variations of the π MO's. This envelope MO theory, which is generalizable to extended systems of any dimensionality, is seen to provide a useful tool for the qualitative interpretation and quantitative prediction of the single-particle quantum states in mesoscopic molecular structures and the design of nanometric molecular devices with tailored energy levels and wavefunctions. [ABSTRACT FROM AUTHOR]

By applying a phase-modulation fluorescence approach to 2D electronic spectroscopy, we studied the conformation-dependent exciton coupling of a porphyrin dimer embedded in a phospholipid bilayer membrane. Our measurements specify the relative angle and separation between interacting electronic transition dipole moments and thus provide a detailed characterization of dimer conformation. Phase-modulation 2D fluorescence spectroscopy (PM-2D FS) produces 2D spectra with distinct optical features, similar to those obtained using 2D photon-echo spectroscopy. Specifically, we studied magnesium meso tetraphenylporphyrin dimers, which form in the amphiphilic regions of 1,2-distearoyl-sn-glycero-3-phosphocholine liposomes. Comparison between experimental and simulated spectra show that although a wide range of dimer conformations can be inferred by either the linear absorption spectrum or the 2D spectrum alone, consideration of both types of spectra constrain the possible structures to a "T-shaped" geometry. These experiments establish the PM-2D FS method as an effective approach to elucidate chromophore dimer conformation. [ABSTRACT FROM AUTHOR]

diabatic quantum computation (AQC) is a universal model for quantum computation which seeks to transform the initial ground state of a quantum system into a final ground state encoding the answer to a computational problem. AQC initial Hamiltonians conventionally have a uniform superposition as ground state. We diverge from this practice by introducing a simple form of heuristics: the ability to start the quantum evolution with a state which is a guess to the solution of the problem. With this goal in mind, we explain the viability of this approach and the needed modifications to the conventional AQC (CAQC) algorithm. By performing a numerical study on hard-to-satisfy 6 and 7 bit random instances of the satisfiability problem (3-SAT), we show how this heuristic approach is possible and we identify that the performance of the particular algorithm proposed is largely determined by the Hamming distance of the chosen initial guess state with respect to the solution. Besides the possibility of introducing educated guesses as initial states, the new strategy allows for the possibility of restarting a failed adiabatic process from the measured excited state as opposed to restarting from the full superposition of states as in CAQC. The outcome of the measurement can be used as a more refined guess state to restart the adiabatic evolution. This concatenated restart process is another heuristic that the CAQC strategy cannot capture. [ABSTRACT FROM AUTHOR]

We study the set of two-qubit pure states with real amplitudes and their geometrical representation in the three-dimensional sphere. In this representation, we show that the maximally entangled states—those locally equivalent to the Bell states—form two disjoint circles perpendicular to each other. We also show that taking the natural Riemannian metric on the sphere, the set of states connected by local gates are equidistant to this pair of circles. Moreover, the unentangled or so-called product states are π / 4 units away to the maximally entangled states. This is, the unentangled states are the farthest away to the maximally entangled states. In this way, if we define two states to be equivalent if they are connected by local gates, we have that there are as many equivalent classes as points in the interval [ 0 , π / 4 ] with the point 0 corresponding to the maximally entangled states. The point π / 4 corresponds to the unentangled states which geometrically are described by a torus. Finally, for every 0 < d < π / 4 the point d corresponds to a disjoint pair of torus. Finally, we also show how this geometrical interpretation allows to clearly see that any pair of two-qubit states with real amplitudes can be connected with a circuit that only has single-qubit gates and one controlled-Z gate. [ABSTRACT FROM AUTHOR]

Generative modeling has seen a rising interest in both classical and quantum machine learning, and it represents a promising candidate to obtain a practical quantum advantage in the near term. In this study, we build over an existing framework for evaluating the generalization performance of generative models, and we establish the first quantitative comparative race towards practical quantum advantage (PQA) between classical and quantum generative models, namely Quantum Circuit Born Machines (QCBMs), Transformers (TFs), Recurrent Neural Networks (RNNs), Variational Autoencoders (VAEs), and Wasserstein Generative Adversarial Networks (WGANs). After defining four types of PQAs scenarios, we focus on what we refer to as potential PQA, aiming to compare quantum models with the best-known classical algorithms for the task at hand. We let the models race on a well-defined and application-relevant competition setting, where we illustrate and demonstrate our framework on 20 variables (qubits) generative modeling task. Our results suggest that QCBMs are more efficient in the data-limited regime than the other state-of-the-art classical generative models. Such a feature is highly desirable in a wide range of real-world applications where the available data is scarce. Generative modeling has become a widespread method in many areas of science. This work provides a comprehensive comparison between quantum and classical generative modeling techniques, with promising prospects for quantum generative modeling towards reaching practical quantum advantage. [ABSTRACT FROM AUTHOR]

Westudied the equilibrium conformations of a zinc porphyrin tweezercomposed of two carboxylphenyl-functionalized zinc tetraphenyl porphyrinsubunits connected by a 1,4-butyndiol spacer, which was suspendedinside the amphiphilic regions of 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) liposomes. By combining phase-modulationtwo-dimensional fluorescence spectroscopy (2D FS) with linear absorbanceand fluorimetry, we determined that the zinc porphyrin tweezer adoptsa mixture of folded and extended conformations in the membrane. Byfitting an exciton-coupling model to a series of data sets recordedover a range of temperatures (17–85 °C) and at differentlaser center wavelengths, we determined that the folded form of thetweezer is stabilized by a favorable change in the entropy of thelocal membrane environment. Our results provide insights toward understandingthe balance of thermodynamic factors that govern molecular assemblyin membranes. [ABSTRACT FROM AUTHOR]

The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors. [ABSTRACT FROM AUTHOR]

The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors. [ABSTRACT FROM AUTHOR]

We show that quantum diffusion near a quantum critical point can provide an efficient mechanism of quantum annealing. It is based on the diffusion-mediated recombination of excitations in open systems far from thermal equilibrium. We find that, for an Ising spin chain coupled to a bosonic bath and driven by a monotonically decreasing transverse field, excitation diffusion sharply slows down below the quantum critical region. This leads to spatial correlations and effective freezing of the excitation density. Still, obtaining an approximate solution of an optimization problem via the diffusion-mediated quantum annealing can be faster than via closed-system quantum annealing or Glauber dynamics. [ABSTRACT FROM AUTHOR]

In the last couple of decades, the world has seen several stunning instances of quantum algorithms that provably outperform the best classical algorithms. For most problems, however, it is currently unknown whether quantum algorithms can provide an advantage, and if so by how much, or how to design quantum algorithms that realize such advantages. Many of the most challenging computational problems arising in the practical world are tackled today by heuristic algorithms that have not been mathematically proven to outperform other approaches but have been shown to be effective empirically. While quantum heuristic algorithms have been proposed, empirical testing becomes possible only as quantum computation hardware is built. The next few years will be exciting as empirical testing of quantum heuristic algorithms becomes more and more feasible. While large-scale universal quantum computers are likely decades away, special-purpose quantum computational hardware has begun to emerge, which will become more powerful over time, as well as small-scale universal quantum computers. [ABSTRACT FROM AUTHOR]