Robust Free-Space Optical Communication Utilizing Polarization for the Advancement of Quantum Communication.

Free-space optical (FSO) communication can be subject to various types of distortion and loss as the signal propagates through non-uniform media. In experiment and simulation, we demonstrate that the state of polarization and degree of polarization of light passed though underwater bubbles, causing turbulence, is preserved. Our experimental setup serves as an efficient, low cost alternative approach to long distance atmospheric or underwater testing. We compare our experimental results with those of simulations, in which we model underwater bubbles, and separately, atmospheric turbulence. Our findings suggest potential improvements in polarization based FSO communication schemes.

Positivity preserving density matrix minimization at finite temperatures via square root.

We present a Wave Operator Minimization (WOM) method for calculating the Fermi-Dirac density matrix for electronic structure problems at finite temperature while preserving physicality by construction using the wave operator, i.e., the square root of the density matrix. WOM models cooling a state initially at infinite temperature down to the desired finite temperature. We consider both the grand canonical (constant chemical potential) and canonical (constant number of electrons) ensembles. Additionally, we show that the number of steps required for convergence is independent of the number of atoms in the system. We hope that the discussion and results presented in this article reinvigorate interest in density matrix minimization methods.

Superoscillations Deliver Superspectroscopy.

In ordinary circumstances the highest frequency present in a wave is the highest frequency in its Fourier decomposition. It is however possible for there to be a spatial or temporal region where the wave locally oscillates at a still greater frequency in a phenomenon known as superoscillation. Superoscillations find application in wide range of disciplines, but at present their generation is based upon constructive approaches that are difficult to implement. Here, we address this, exploiting the fact that superoscillations are a product of destructive interference to produce a prescription for generating superoscillations from the superposition of arbitrary waveforms. As a first test of the technique, we use it to combine four quasisinusoidal THz waveforms to produce THz optical superoscillations for the first time. The ability to generate superoscillations in this manner has potential application in a wide range of fields, which we demonstrate with a method we term "superspectroscopy." This employs the generated superoscillations to obtain an observed enhancement of almost an order of magnitude in the spectroscopic sensitivity to materials whose resonance lies outside the range of the component waveform frequencies.

Synergistic antibacterial effect of copper and silver nanoparticles and their mechanism of action.

Bacterial infections are one of the leading causes of death worldwide. In the case of topical bacterial infections such as wound infections, silver (Ag) has historically been one of the most widely used antibacterials. However, scientific publications have demonstrated the adverse effects of silver on human cells, ecotoxicity and insufficient antibacterial effect for the complete elimination of bacterial infections. The use of Ag in the form of nanoparticles (NPs, 1-100 nm) allows to control the release of antibacterial Ag ions but is still not sufficient to eliminate infection and avoid cytotoxicity. In this study, we tested the potency of differently functionalized copper oxide (CuO) NPs to enhance the antibacterial properties of Ag NPs. The antibacterial effect of the mixture of CuO NPs (CuO, CuO-NH2 and CuO-COOH NPs) with Ag NPs (uncoated and coated) was studied. CuO and Ag NP combinations were more efficient than Cu or Ag (NPs) alone against a wide range of bacteria, including antibiotic-resistant strains such as gram-negative Escherichia coli and Pseudomonas aeruginosa as well as gram-positive Staphylococcus aureus, Enterococcus faecalis and Streptococcus dysgalactiae. We showed that positively charged CuO NPs enhanced the antibacterial effect of Ag NPs up to 6 times. Notably, compared to the synergy of CuO and Ag NPs, the synergy of respective metal ions was low, suggesting that NP surface is required for the enhanced antibacterial effect. We also studied the mechanisms of synergy and showed that the production of Cu+ ions, faster dissolution of Ag+ from Ag NPs and lower binding of Ag+ by proteins of the incubation media in the presence of Cu2+ were the main mechanisms of the synergy. In summary, CuO and Ag NP combinations allowed increasing the antibacterial effect up to 6 times. Thus, using CuO and Ag NP combinations enables to retain excellent antibacterial effects due to Ag and synergy and enhances beneficial effects, since Cu is a vital microelement for human cells. Thus, we suggest using combinations of Ag and CuO NPs in antibacterial materials, such as wound care products, to increase the antibacterial effect of Ag, improve safety and prevent and cure topical bacterial infections.

N-substituted arylhydroxamic acids as acetylcholinesterase reactivators.

The problem of the efficient treatment of acute organophosphorus (OP) poisoning needs more efforts in the development of a versatile antidote, applicable for treatment of the injuries of both peripheral and central nervous systems. A series of N-H, N-methyl, N-butyl, and N-phenyl derivatives of benzhydroxamic (1a-1d), 3-methoxybenzhydroxamic (2a-2d), 4-methoxybenzhydroxamic (3a-3d) acids, and corresponding salycilhydroxamates (4a-4d) was prepared. Their predicted hydrophobicity (log P) was evaluated as regards to ВВВ score by the open access cheminformatics tools; prediction of the passive transport across the BBB was found by means on the parallel artificial membrane permeability assay (PAMPA). The data on reactivation capacity of human acetylcholinesterase (HssAChE) inhibited by GB, VX, and paraoxon was supported by molecular docking study on binding to the active site of the AChE, viability study against mammalian cells (Chinese hamster ovary CHO-K1), and biodegradability (Closed Bottle test OECD 301D). Among the studied compounds, N-butyl derivatives have better balanced combination of properties; among them, N-butylsalicylhydroxamic acid is most promising. The studied compounds demonstrate modest reactivation capacity; change of N-H by N-Me ensures the reactivation capacity in studied concentrations on all studied OP substrates; among N-butyl derivatives, the N-butylsalicylhydroxamic acid demonstrates most promising results within the series. The found regularities may lead to selection of perspective structures to complement current formulations for medical countermeasures against poisoning by organophosphorus toxicants.

The influence of organic solvents on phenylethylamines in capillary zone electrophoresis.

The aim of this study was to investigate the influence of organic solvents on the electrophoretic separation of phenylethylamines. The background electrolyte composition was adjusted with different protic (methanol, ethanol, and 2-propanol) and aprotic (dimethyl sulfoxide and acetonitrile) solvents. Two groups of analytes were studied. The first group contained phenylethylamines with an amine group only, DL-1-phenylethylamine and amphetamine. The second group represented phenylethylamines with both amine and phenolic hydroxyl groups, dopamine and tyramine. Experiments revealed no or minor influence of the organic modifiers on the electromigration behavior of the analytes from the first group (containing only the amine group) and a drastic effect on the second group (containing the additional phenolic hydroxyl group). Dopamine and tyramine showed various electrostatic, hydrophobic, and hydrogen-bonding interactions with both protic and aprotic organic solvents. The dependence of the electrophoretic mobility of dopamine and tyramine on the concentration of the organic solvents provided direct evidence of the formation of hydrogen bonds between dopamine or tyramine and the organic solvent. The baseline separation was achieved by the addition of at least 20% v/v of organic solvent (protic or aprotic) to the background electrolyte. The analyte migration time repeatabilities were within 0.7-4.1% for absolute and 0.2-1.9% for normalised migration times. The proposed bonding mechanism and behavior of phenylethylamines were examined and confirmed by NMR spectroscopy.

Optical Indistinguishability via Twinning Fields.

Here we introduce the concept of the twinning field-a driving electromagnetic pulse that induces an identical optical response from two distinct materials. We show that for a large class of pairs of generic many-body systems, a twinning field which renders the systems optically indistinguishable exists. The conditions under which this field exists are derived, and this analysis is supplemented by numerical calculations of twinning fields for both the 1D Fermi-Hubbard model, and tight-binding models of graphene and hexagonal boron nitride. The existence of twinning fields may lead to new research directions in nonlinear optics, materials science, and quantum technologies.

Explicit volume-preserving numerical schemes for relativistic trajectories and spin dynamics.

A class of explicit numerical schemes is developed to solve for the relativistic dynamics and spin of particles in electromagnetic fields, using the Lorentz-Bargmann-Michel-Telegdi equation formulated in the Clifford algebra representation of Baylis. It is demonstrated that these numerical methods, reminiscent of the leapfrog and Verlet methods, share a number of important properties: they are energy conserving, volume conserving, and second-order convergent. These properties are analyzed empirically by benchmarking against known analytical solutions in constant uniform electrodynamic fields. It is demonstrated that the numerical error in a constant magnetic field remains bounded for long-time simulations in contrast to the Boris pusher, whose angular error increases linearly with time. Finally, the intricate spin dynamics of a particle is investigated in a plane-wave field configuration.

Robust polarimetry via convex optimization.

We present mathematical methods, based on convex optimization, for correcting non-physical coherency matrices measured in polarimetry. We also develop the method for recovering the coherency matrices corresponding to the smallest and largest values of the degree of polarization given the experimental data and a specified tolerance. We use experimental non-physical results obtained with the standard polarimetry scheme and a commercial polarimeter to illustrate these methods. Our techniques are applied in post-processing, which complements other experimental methods for robust polarimetry.

Combining Lindblad Master Equation and Surface Hopping to Evolve Distributions of Quantum Particles.

Motivated by the need to study nonequilibrium evolutions of many-electron systems at the atomistic ab initio level, as they occur in modern devices and applications, we developed a quantum dynamics approach bridging master equations and surface hopping (SH). The Lindblad master equation (LME) allows us to propagate efficiently ensembles of particles, while SH provides nonperturbative evaluation of transition rates that evolve in time and depend explicitly on nuclear geometry. We implemented the LME-SH technique within real-time time-dependent density functional theory using global flux SH, and we demonstrated its efficiency and utility by modeling metallic films, in which charge-phonon dynamics was studied experimentally and showed an unexpectedly strong dependence on adhesion layers. The LME-SH approach provides a general framework for modeling efficiently quantum dynamics in a broad range of complex many-electron condensed-matter and nanoscale systems.

Driven Imposters: Controlling Expectations in Many-Body Systems.

We present a framework for controlling the observables of a general correlated electron system driven by an incident laser field. The approach provides a prescription for the driving required to generate an arbitrary predetermined evolution for the expectation value of a chosen observable, together with a constraint on the maximum size of this expectation. To demonstrate this, we determine the laser fields required to exactly control the current in a Fermi-Hubbard system under a range of model parameters, fully controlling the nonlinear high-harmonic generation and optically observed electron dynamics in the system. This is achieved for both the uncorrelated metalliclike state and deep in the strongly correlated Mott insulating regime, flipping the optical responses of the two systems so as to mimic the other, creating "driven imposters." We also present a general framework for the control of other dynamical variables, opening a new route for the design of driven materials with customized properties.

Uncomputability and complexity of quantum control.

In laboratory and numerical experiments, physical quantities are known with a finite precision and described by rational numbers. Based on this, we deduce that quantum control problems both for open and closed systems are in general not algorithmically solvable, i.e., there is no algorithm that can decide whether dynamics of an arbitrary quantum system can be manipulated by accessible external interactions (coherent or dissipative) such that a chosen target reaches a desired value. This conclusion holds even for the relaxed requirement of the target only approximately attaining the desired value. These findings do not preclude an algorithmic solvability for a particular class of quantum control problems. Moreover, any quantum control problem can be made algorithmically solvable if the set of accessible interactions (i.e., controls) is rich enough. To arrive at these results, we develop a technique based on establishing the equivalence between quantum control problems and Diophantine equations, which are polynomial equations with integer coefficients and integer unknowns. In addition to proving uncomputability, this technique allows to construct quantum control problems belonging to different complexity classes. In particular, an example of the control problem involving a two-mode coherent field is shown to be NP-hard, contradicting a widely held believe that two-body problems are easy.

Koopman wavefunctions and classical-quantum correlation dynamics.

Upon revisiting the Hamiltonian structure of classical wavefunctions in Koopman-von Neumann theory, this paper addresses the long-standing problem of formulating a dynamical theory of classical-quantum coupling. The proposed model not only describes the influence of a classical system onto a quantum one, but also the reverse effect-the quantum backreaction. These interactions are described by a new Hamiltonian wave equation overcoming shortcomings of currently employed models. For example, the density matrix of the quantum subsystem is always positive definite. While the Liouville density of the classical subsystem is generally allowed to be unsigned, its sign is shown to be preserved in time for a specific infinite family of hybrid classical-quantum systems. The proposed description is illustrated and compared with previous theories using the exactly solvable model of a degenerate two-level quantum system coupled to a classical harmonic oscillator.

Entropy nonconservation and boundary conditions for Hamiltonian dynamical systems.

Applying the theory of self-adjoint extensions of Hermitian operators to Koopman von Neumann classical mechanics, the most general set of probability distributions is found for which entropy is conserved by Hamiltonian evolution. A new dynamical phase associated with such a construction is identified. By choosing distributions not belonging to this class, we produce explicit examples of both free particles and harmonic systems evolving in a bounded phase-space in such a way that entropy is nonconserved. While these nonconserving states are classically forbidden, they may be interpreted as states of a quantum system tunneling through a potential barrier boundary. In this case, the allowed boundary conditions are the only distinction between classical and quantum systems. We show that the boundary conditions for a tunneling quantum system become the criteria for entropy preservation in the classical limit. These findings highlight how boundary effects drastically change the nature of a system.

Nonconservative Forces via Quantum Reservoir Engineering.

A systematic approach is given for engineering dissipative environments that steer quantum wave packets along desired trajectories. The methodology is demonstrated with several illustrative examples: environment-assisted tunneling, trapping, effective mass assignment, and pseudorelativistic behavior. Nonconservative stochastic forces do not inevitably lead to decoherence-we show that purity can be well preserved. These findings highlight the flexibility offered by nonequilibrium open quantum dynamics.

No Thermalization without Correlations.

The proof of the long-standing conjecture is presented that Markovian quantum master equations are at odds with quantum thermodynamics under conventional assumptions of fluctuation-dissipation theorems (implying a translation invariant dissipation). Specifically, except for identified systems, persistent system-bath correlations of at least one kind, spatial or temporal, are obligatory for thermalization. A systematic procedure is proposed to construct translation invariant bath models producing steady states that well approximate thermal states. A quantum optical scheme for the laboratory assessment of the developed procedure is outlined.

Analytic Solutions to Coherent Control of the Dirac Equation.

A simple framework for Dirac spinors is developed that parametrizes admissible quantum dynamics and also analytically constructs electromagnetic fields, obeying Maxwell's equations, which yield a desired evolution. In particular, we show how to achieve dispersionless rotation and translation of wave packets. Additionally, this formalism can handle control interactions beyond electromagnetic. This work reveals unexpected flexibility of the Dirac equation for control applications, which may open new prospects for quantum technologies.

How to Make Distinct Dynamical Systems Appear Spectrally Identical.

We show that a laser pulse can always be found that induces a desired optical response from an arbitrary dynamical system. As illustrations, driving fields are computed to induce the same optical response from a variety of distinct systems (open and closed, quantum and classical). As a result, the observed induced dipolar spectra without detailed information on the driving field are not sufficient to characterize atomic and molecular systems. The formulation may also be applied to design materials with specified optical characteristics. These findings reveal unexplored flexibilities of nonlinear optics.

Erratum: Analytic Solutions to Coherent Control of the Dirac Equation [Phys. Rev. Lett. 119, 173203 (2017)].

This corrects the article DOI: 10.1103/PhysRevLett.119.173203.