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A new readout technique was developed with the primary aim of keeping the number of channels in the front-end electronics as low as possible when scaling up the sensitive area of a Resistive Plate Chamber (RPC). The readout method here presented significantly reduces the dependence between the detector area and the number of electronic channels, without substantial reduction of its performance: a 30 cm x 30 cm double stack multi-gap timing RPC was operated during weeks with cosmic rays, achieving a 2D spatial resolution well below 1 mm and time resolution lower than 100 ps, while its efficiency was kept above 98%., Comment: 16th Pisa Meeting on Advanced Detectors

A procedure to find optimal regimes for quantum thermal engines (QTMs) is described and demonstrated. The QTMs are modelled as the periodically-driven non-equilibrium steady states of open quantum systems, whose dynamics is approximated in this work with Markovian master equations. The action of the external agent, and the couplings to the heat reservoirs can be modulated with control functions, and it is the time-dependent shape of these control functions the object of optimisation. Those functions can be freely parameterised, which permits to constrain the solutions according to experimental or physical requirements., Comment: 17 pages, 3 figures

Quantum optimal control theory (QOCT) can be used to design the shape of electromagnetic pulses that implement operations on quantum devices. By using non-trivially shaped waveforms, gates can be made significantly faster than those built by concatenating monochromatic pulses. Recently, we applied this technique to the control of molecular spin qudits modelled with Schr\"odinger's equation and showed it can speed up operations, helping mitigate the effects of decoherence [Phys. Rev. Appl. {\bf 17}, 064028 (2022)]. However, short gate times result in large optimal pulse amplitudes, which may not be experimentally accessible. Introducing bounds to the amplitudes then unavoidably leads to longer operation times, for which decoherence can no longer be neglected. Here, we study how to improve this procedure by applying QOCT on top of Lindblad's equation, to design control pulses accounting for decoherence already in the optimization process. In addition, we introduce a formulation that allows us to bound the maximum amplitude and frequency of the signals, which are the typical limitations of waveform generators. The pulses we obtain consistently enhance operation fidelities compared to those achieved with Schr\"odinger's equation across various target gates and durations, demonstrating the flexibility and robustness of our method. The improvement is larger the shorter the spin coherence time $T_{2}$., Comment: 9 pages, 4 figures

Non-equilibrium steady states are created when a periodically driven quantum system is also incoherently interacting with an environment -- as it is the case in most realistic situations. The notion of Floquet engineering refers to the manipulation of the properties of systems under periodic perturbations. Although it more frequently refers to the coherent states of isolated systems (or to the transient phase for states that are weakly coupled to the environment), it may sometimes be of more interest to consider the final steady states that are reached after decoherence and dissipation take place. In this work, we propose a computational method to find the multicolor periodic perturbations that lead to the final steady states that are optimal with respect to a given predefined metric, such as for example the maximization of the temporal average value of some observable. We exemplify the concept using a simple model for the nitrogen-vacancy center in diamond: the goal in this case is to find the driving periodic magnetic field that maximizes a time-averaged spin component. We show that, for example, this technique permits to prepare states whose spin values are forbidden in thermal equilibrium at any temperature., Comment: 16 pages, 3 figures. Changed the title. Added more background information to the introduction, added a handful of new references that have studied non-equilibrium steady states for various types of systems

We demonstrate that the electronic structure of a material can be deformed into Floquet pseudo-bands with arbitrarily tailored shapes. We achieve this goal with a novel combination of quantum optimal control theory and Floquet engineering. The power and versatility of this framework is demonstrated here by utilizing the independent-electron tight-binding description of the $\pi$ electronic system of graphene. We show several prototype examples focusing on the region around the K (Dirac) point of the Brillouin zone: creation of a gap with opposing flat valence and conduction bands, creation of a gap with opposing concave symmetric valence and conduction bands -- which would correspond to a material with an effective negative electron-hole mass --, or closure of the gap when departing from a modified graphene model with a non-zero field-free gap. We employ time periodic drives with several frequency components and polarizations, in contrast to the usual monochromatic fields, and use control theory to find the amplitudes of each component that optimize the shape of the bands as desired. In addition, we use quantum control methods to find realistic switch-on pulses that bring the material into the predefined stationary Floquet band structure, i.e. into a state in which the desired Floquet modes of the target bands are fully occupied, so that they should remain stroboscopically stationary, with long lifetimes, when the weak periodic drives are started. Finally, we note that although we have focused on solid state materials, the technique that we propose could be equally used for the Floquet engineering of ultracold atoms in optical lattices, and to other non-equilibrium dynamical and correlated systems., Comment: 11 pages, 5 figures

We demonstrate, numerically, the possibility of manipulating the spin states of molecular nanomagnets with shaped microwave pulses designed with quantum optimal control theory techniques. The state-to-state or full gate transformations can be performed in this way in shorter times than using simple monochromatic resonant pulses. This enhancement in the operation rates can therefore mitigate the effect of decoherence. The optimization protocols and their potential for practical implementations are illustrated by simulations performed for a simple molecular cluster hosting a single Gd$^{3+}$ ion. Its eight accessible levels (corresponding to a total spin $S=7/2$) allow encoding an $8$-level qudit or a system of three coupled qubits. All necessary gates required for universal operation can be obtained with optimal pulses using the intrinsic couplings present in this system. The application of optimal control techniques can facilitate the implementation of quantum technologies based on molecular spin qudits., Comment: 10 pages, 5 figures

Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of precision. An appealing and challenging route towards engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind, providing an unique framework allowing to describe non-equilibrium phenomena in molecular complexes, low dimensional materials, and extended systems by accounting for electronic, ionic, and photon quantum mechanical effects within a generalized time-dependent density functional theory framework. The present article aims to present the new features that have been implemented over the last few years, including technical developments related to performance and massive parallelism. We also describe the major theoretical developments to address ultrafast light-driven processes, like the new theoretical framework of quantum electrodynamics density-functional formalism (QEDFT) for the description of novel light-matter hybrid states. Those advances, and other being released soon as part of the Octopus package, will enable the scientific community to simulate and characterize spatial and time-resolved spectroscopies, ultrafast phenomena in molecules and materials, and new emergent states of matter (QED-materials).

In conventional quantum optimal control theory, the parameters that determine an external field are optimised to maximise some predefined function of the trajectory, or of the final state, of a matter system. The situation changes in the case of quantum electrodynamics, where the degrees of freedom of the radiation field are now part of the system. In consequence, instead of optimising an external field, the optimal control question turns into a optimisation problem for the many-body initial state of the combined matter-photon system. In the present work, we develop such a optimal control theory for quantum electrodynamics. We derive the equation that provides the gradient of the target function, which is often the occupation of some given state or subspace, with respect to the control variables that define the initial state. We choose the well-known Dicke model to study the possibilities of this technique. In the weak coupling regime, we find that Dicke states are the optimal matter states to reach Fock number states of the cavity mode with large fidelity, and vice versa, that Fock number states of the photon modes are the optimal states to reach the Dicke states. This picture does not prevail in the strong coupling regime. We have also considered the extended case with more than one mode. In this case, we find that increasing the number of two-level systems allows to reach a larger occupation of entangled photon targets.

We examine various integration schemes for the time-dependent Kohn-Sham equations. Contrary to the time-dependent Schr\"odinger's equation, this set of equations is non-linear, due to the dependence of the Hamiltonian on the electronic density. We discuss some of their exact properties, and in particular their symplectic structure. Four different families of propagators are considered, specifically the linear multistep, Runge-Kutta, exponential Runge-Kutta, and the commutator-free Magnus schemes. These have been chosen because they have been largely ignored in the past for time-dependent electronic structure calculations. The performance is analyzed in terms of cost-versus-accuracy. The clear winner, in terms of robustness, simplicity, and efficiency is a simplified version of a fourth-order commutator-free Magnus integrator. However, in some specific cases, other propagators, such as some implicit versions of the multistep methods, may be useful.

How fast can a laser pulse ionize an atom? We address this question by considering pulses that carry a fixed time-integrated energy per-area, and finding those that achieve the double requirement of maximizing the ionization that they induce, while having the shortest duration. We formulate this double-objective quantum optimal control problem by making use of the Pareto approach to multi-objetive optimization, and the differential evolution genetic algorithm. The goal is to find out how much a precise time-profiling of ultra-fast, large-bandwidth pulses may speed up the ionization process with respect to simple-shape pulses. We work on a simple one-dimensional model of hydrogen-like atoms (the P\"oschl-Teller potential), that allows to tune the number of bound states that play a role in the ionization dynamics. We show how the detailed shape of the pulse accelerates the ionization process, and how the presence or absence of bound states influences the velocity of the process.

We present an implementation of optimal control theory for the first-principles non-adiabatic Ehrenfest Molecular Dynamics model, which describes a condensed matter system by considering classical point-particle nuclei, and quantum electrons, handled in our case with time-dependent density-functional theory. The scheme is demonstrated by optimizing the Coulomb explosion of small Sodium clusters: the algorithm is set to find the optimal femtosecond laser pulses that disintegrate the clusters, for a given total pulse duration, fluence, and cut-off frequency. We describe the numerical details and difficulties of the methodology., Comment: Added computations for longer pulse times in the Na2 and Na4 clusters

Recent advances in laser technology allow us to follow electronic motion at its natural time-scale with ultra-fast time resolution, leading the way towards attosecond physics experiments of extreme precision. In this work, we assess the use of tailored pumps in order to enhance (or reduce) some given features of the probe absorption (for example, absorption in the visible range of otherwise transparent samples). This type of manipulation of the system response could be helpful for its full characterization, since it would allow us to visualize transitions that are dark when using unshaped pulses. In order to investigate these possibilities, we perform first a theoretical analysis of the non-equilibrium response function in this context, aided by one simple numerical model of the Hydrogen atom. Then, we proceed to investigate the feasibility of using time-dependent density-functional theory as a means to implement, theoretically, this absorption-optimization idea, for more complex atoms or molecules. We conclude that the proposed idea could in principle be brought to the laboratory: tailored pump pulses can excite systems into light-absorbing states. However, we also highlight the severe numerical and theoretical difficulties posed by the problem: large-scale non-equilibrium quantum dynamics are cumbersome, even with TDDFT, and the shortcomings of state-of-the-art TDDFT functionals may still be serious for these out-of-equilibrium situations., Comment: 15 pages, 7 figures

We use quantum optimal control theory algorithms to design external electric fields that drive the coupled spin and orbital dynamics of an electron in a double quantum dot, subject to the spin-orbit interaction and Zeeman magnetic fields. We obtain time-profiles of multi-frequency electric pulses which increase the rate of spin-flip transitions by several orders of magnitude in comparison with monochromatic fields, where the spin Rabi oscillations were predicted to be very slow. This precise, with the accuracy higher than $10^{-4}$, and fast, at the timescale of the order of 0.1 ns, simultaneous control of the electron spin orientation and position is achieved while keeping the electron in the four lowest tunneling- and Zeeman-split levels through the duration of the pulse, facilitating high fidelity and suggesting useful applications in spintronics and quantum information devices., Comment: 19 pages, 6 figures, submitted to PRB