Importance of van der Waals interactions forstudies of topological insulators.

We investigate the lattice and electronic structures of the bulk and surface of the prototypical layered topological insulators BiSeand BiTeusingdensity functional methods, and systematically compare the results of different methods of including van der Waals (vdW) interactions. We show that the methods utilizing semi-empirical energy corrections yield accurate descriptions of these materials, with the most precise results obtained by properly accounting for the long-range tail of the vdW interactions. The bulk lattice constants, distances between quintuple layers and the Dirac velocity of the topological surface states (TSS) are all in excellent agreement with experiment.

Using machine learning of computerized vocal expression to measure blunted vocal affect and alogia.

Negative symptoms are a transdiagnostic feature of serious mental illness (SMI) that can be potentially "digitally phenotyped" using objective vocal analysis. In prior studies, vocal measures show low convergence with clinical ratings, potentially because analysis has used small, constrained acoustic feature sets. We sought to evaluate (1) whether clinically rated blunted vocal affect (BvA)/alogia could be accurately modelled using machine learning (ML) with a large feature set from two separate tasks (i.

Cost of Quantum Entanglement Simplified.

Quantum entanglement is a key physical resource in quantum information processing that allows for performing basic quantum tasks such as teleportation and quantum key distribution, which are impossible in the classical world. Ever since the rise of quantum information theory, it has been an open problem to quantify entanglement in an information-theoretically meaningful way. In particular, every previously defined entanglement measure bearing a precise information-theoretic meaning is not known to be efficiently computable, or if it is efficiently computable, then it is not known to have a precise information-theoretic meaning.

Deep learning on the 2-dimensional Ising model to extract the crossover region with a variational autoencoder.

The 2-dimensional Ising model on a square lattice is investigated with a variational autoencoder in the non-vanishing field case for the purpose of extracting the crossover region between the ferromagnetic and paramagnetic phases. The encoded latent variable space is found to provide suitable metrics for tracking the order and disorder in the Ising configurations that extends to the extraction of a crossover region in a way that is consistent with expectations. The extracted results achieve an exceptional prediction for the critical point as well as agreement with previously published results on the configurational magnetizations of the model.

Age-structured vectorial capacity reveals timing, not magnitude of within-mosquito dynamics is critical for arbovirus fitness assessment.

Background: Transmission dynamics of arboviruses like Zika virus are often evaluated by vector competence (the proportion of infectious vectors given exposure) and the extrinsic incubation period (EIP, the time it takes for a vector to become infectious), but vector age is another critical driver of transmission dynamics. Vectorial capacity (VC) is a measure of transmission potential of a vector-pathogen system, but how these three components, EIP, vector competence and vector age, affect VC in concert still needs study.

Methods: The interaction of vector competence, EIP, and mosquito age at the time of infection acquisition (Age) was experimentally measured in an Aedes aegypti-ZIKV model system, as well as the age-dependence of probability of survival and the willingness to bite.

First-Principles Simulations of X-ray Transient Absorption for Probing Attosecond Electron Dynamics.

X-ray transient absorption spectroscopy (XTAS) is a promising technique for measuring electron dynamics in molecules and solids with attosecond time resolutions. In XTAS, the elemental specificity and spatial locality of core-to-valence X-ray absorption is exploited to relate modulations in the time-resolved absorption spectra to local electron density variations around particular atoms. However, interpreting these absorption modulations and frequency shifts as a function of the time delay in terms of dynamics can be challenging.

Short Report: Asymptomatic Zika virus infections with low viral loads not likely to establish transmission in New Orleans Aedes populations.

Aedes aegypti and Aedes albopictus are both vectors of Zika virus and both are endemic to the New Orleans Metropolitan area. Fortunately, to date there has been no known autochthonous transmission of Zika virus in New Orleans. No studies of the vector competence of local populations of Ae.

Digital phenotyping of negative symptoms: the relationship to clinician ratings.

Negative symptoms are a critical, but poorly understood, aspect of schizophrenia. Measurement of negative symptoms primarily relies on clinician ratings, an endeavor with established reliability and validity. There have been increasing attempts to digitally phenotype negative symptoms using objective biobehavioral technologies, eg, using computerized analysis of vocal, speech, facial, hand and other behaviors.

Strengthening spatial reasoning: elucidating the attentional and neural mechanisms associated with mental rotation skill development.

Spatial reasoning is a critical skill in many everyday tasks and in science, technology, engineering, and mathematics disciplines. The current study examined how training on mental rotation (a spatial reasoning task) impacts the completeness of an encoded representation and the ability to rotate the representation. We used a multisession, multimethod design with an active control group to determine how mental rotation ability impacts performance for a trained stimulus category and an untrained stimulus category.

Efficiently Computable Bounds for Magic State Distillation.

Magic-state distillation (or nonstabilizer state manipulation) is a crucial component in the leading approaches to realizing scalable, fault-tolerant, and universal quantum computation. Related to nonstabilizer state manipulation is the resource theory of nonstabilizer states, for which one of the goals is to characterize and quantify nonstabilizerness of a quantum state. In this Letter, we introduce the family of thauma measures to quantify the amount of nonstabilizerness in a quantum state, and we exploit this family of measures to address several open questions in the resource theory of nonstabilizer states.

Adsorption of Fatty Acid Molecules on Amine-Functionalized Silica Nanoparticles: Surface Organization and Foam Stability.

The crucial roles of the ionization state and counterion presence on the phase behavior of fatty acid in aqueous solutions are well-established. However, the effects of counterions on the adsorption and morphological state of fatty acid on nanoparticle surfaces are largely unknown. This knowledge gap exists due to the high complexity of the interactions between nanoparticles, counterions, and fatty acid molecules in aqueous solution.

Conditional Quantum One-Time Pad.

Suppose that Alice and Bob are located in distant laboratories, which are connected by an ideal quantum channel. Suppose further that they share many copies of a quantum state ρ_{ABE}, such that Alice possesses the A systems and Bob the BE systems. In our model, there is an identifiable part of Bob's laboratory that is insecure: a third party named Eve has infiltrated Bob's laboratory and gained control of the E systems.

Engineering Tissue Fabrication With Machine Intelligence: Generating a Blueprint for Regeneration.

Regenerating lost or damaged tissue is the primary goal of Tissue Engineering. 3D bioprinting technologies have been widely applied in many research areas of tissue regeneration and disease modeling with unprecedented spatial resolution and tissue-like complexity. However, the extraction of tissue architecture and the generation of high-resolution blueprints are challenging tasks for tissue regeneration.

A hybrid and scalable error correction algorithm for indel and substitution errors of long reads.

Background: Long-read sequencing has shown the promises to overcome the short length limitations of second-generation sequencing by providing more complete assembly. However, the computation of the long sequencing reads is challenged by their higher error rates (e.g.

Extendibility of Bosonic Gaussian States.

Extendibility of bosonic Gaussian states is a key issue in continuous-variable quantum information. We show that a bosonic Gaussian state is k-extendible if and only if it has a Gaussian k-extension, and we derive a simple semidefinite program, whose size scales linearly with the number of local modes, to efficiently decide k-extendibility of any given bosonic Gaussian state. When the system to be extended comprises one mode only, we provide a closed-form solution.

Extendibility Limits the Performance of Quantum Processors.

Resource theories in quantum information science are helpful for the study and quantification of the performance of information-processing tasks that involve quantum systems. These resource theories also find applications in other areas of study; e.g.

Experimental and Molecular Dynamics Simulation Study of the Effects of Lignin Dimers on the Gel-to-Fluid Phase Transition in DPPC Bilayers.

High resolution differential scanning calorimetry (DSC) and molecular dynamics (MD) simulations were used to investigate the effect of three lignin dimers on the gel to fluid phase transition in DPPC lipid bilayers. The goal of this research is to begin to understand the partitioning of model lignin dimers into lipid bilayers and its effects on the gel to fluid transition temperature (). The long-term objective is to establish structure-function relationships for well-defined lignin derivatives at biologically relevant surfaces.

Ultrasensitive Three-Dimensional Orientation Imaging of Single Molecules on Plasmonic Nanohole Arrays Using Second Harmonic Generation.

Recently, fluorescence-based super-resolution techniques such as stimulated emission depletion (STED) and stochastic optical reconstruction microscopy (STORM) have been developed to achieve near molecular-scale resolution. However, such a super-resolution technique for nonlinear label-free microscopy based on second harmonic generation (SHG) is lacking. Since SHG is label-free and does not involve real-energy level transitions, fluorescence-based super-resolution techniques such as STED cannot be applied to improve the resolution.

Temperature impacts on dengue emergence in the United States: Investigating the role of seasonality and climate change.

Tropical mosquito-borne viruses have been expanding into more temperate regions in recent decades. This is partly due to the coupled effects of temperature on mosquito life history traits and viral infection dynamics and warming surface temperatures, resulting in more suitable conditions for vectors and virus transmission. In this study, we use a deterministic ordinary differential equations model to investigate how seasonal and diurnal temperature fluctuations affect the potential for dengue transmission in six U.

Evidence for Fe-Si-O liquid immiscibility at deep Earth pressures.

Seismic observations suggest that the uppermost region of Earth's liquid outer core is buoyant, with slower velocities than the bulk outer core. One possible mechanism for the formation of a stably stratified layer is immiscibility in molten iron alloy systems, which has yet to be demonstrated at core pressures. We find immiscibility between liquid Fe-Si and Fe-Si-O persisting to at least 140 GPa through a combination of laser-heated diamond-anvil cell experiments and first-principles molecular dynamics simulations.

Retreating marsh shoreline creates hotspots of high-marsh plant diversity.

Marsh edge retreat by wave erosion, an ubiquitous process along estuaries, could affect vegetation dynamics in ways that differ from well-established elevation-driven interactions. Along the marshes of Delaware Bay (USA) we show that species composition from marsh edge to interior is driven by gradients in wave stress, bed elevation, and sediment deposition. At the marsh edge, large wave stress allows only short-statured species.

Entropic Energy-Time Uncertainty Relation.

Energy-time uncertainty plays an important role in quantum foundations and technologies, and it was even discussed by the founders of quantum mechanics. However, standard approaches (e.g.

Investigating the probability of establishment of Zika virus and detection through mosquito surveillance under different temperature conditions.

Because of the increasing threat that Zika virus (ZIKV) poses to more sub-tropical area due to increased global travel, there is a need for better understanding of the effect(s) of temperature on the establishment potential of ZIKV within these subtropical, temperate, and/or seasonal Ae. aegypti populations. The first step to determining risk establishment of ZIKV in these regions is to assess ZIKV's ability to infect mosquitoes at less tropical temperatures, and thus be detected through common surveillance programs.