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Boron vacancies in hexagonal boron nitride (hBN) are among the most extensively studied optically active spin defects in van der Waals crystals, due to their promising potential to develop two-dimensional (2D) quantum sensors. In this letter, we demonstrate the tunability of the charge state of boron vacancies in ultrathin hBN layers, revealing a transition from the optically active singly negatively charged state to the optically inactive doubly negatively charged state when sandwiched between graphene electrodes. Notably, there is a photoluminescence quenching of a few percent upon the application of a bias voltage between the electrodes. Our findings emphasize the critical importance of considering the charge state of optically active defects in 2D materials, while also showing that the negatively charged boron vacancy remains robust against external perpendicular electric fields. This stability makes it a promising candidate for integration into various van der Waals heterostructures.

The highly efficient torques generated by 3D topological insulators make them a favourable platform for faster and more efficient magnetic memory devices. Recently, research into harnessing orbital angular momentum in orbital torques has received significant attention. Here we study the orbital Hall effect in topological insulators. We find that the bulk states give rise to a sizeable orbital Hall effect that is up to 3 orders of magnitude larger than the spin Hall effect in topological insulators. This is partially because the orbital angular momentum that each conduction electron carries is up to an order of magnitude larger than the $\hbar/2$ carried by its spin. Our results imply that the large torques measured in topological insulator/ferromagnet devices can be further enhanced through careful engineering of the heterostructure to optimise orbital-to-spin conversion.

The neutron star X-ray binary, EXO 0748--676, was observed regularly by the Rossi X-ray Timing Explorer (RXTE) and XMM-Newton during its first detected outburst (1985 - 2008). These observations captured hundreds of asymmetric, energy-dependent X-ray eclipses, influenced by the ongoing ablation of the companion star and numerous Type I thermonuclear X-ray bursts. Here, we present the light curves of 22 Type I X-ray bursts observed by RXTE that coincide, fully or partially, with an X-ray eclipse. We identify nine instances where the burst occurs entirely within totality, seven bursts split across an egress, and six cases interrupted by an ingress. All in-eclipse bursts and split bursts occurred while the source was in the hard spectral state. We establish that we are not observing direct burst emission during eclipses since the companion star and the ablated outflow entirely obscure our view of the X-ray emitting region. We determine that the reflected flux from the outer accretion disc, even if maximally flared, is insufficient to explain all observations of in-eclipse X-ray bursts and instead explore scenarios whereby the X-ray bursts are scattered, either by a burst-induced rise in $N_{\rm{H}}$ that provides extra material, an accretion disc wind or the ablated outflow into our line of sight. However, the rarity of a burst and eclipse overlap makes it challenging to determine their origin., Comment: 17 Pages, 12 Figures, Submitted to MNRAS

The torus in Active Galactic Nuclei (AGN) is a complex dynamical structure of gas and dust. It is thought to be composed of an equatorial dusty disk and a polar dusty wind launched by radiation pressure. However, this picture is based on studies of moderately accreting AGN. Models suggest that the disk/wind structure will change with specific accretion rate. Here we examine the wind launching region in two high accretion rate objects, I Zw 1 (super-Eddington) and H0557-385 (high-Eddington), using high spatial resolution interferometric observations in the $K$-band from VLTI/GRAVITY and $LM$-bands VLTI/MATISSE. We recover wavelength-dependent sizes of the dust emission using a Gaussian and power law fit to the visibilities. Both objects are partially resolved and have radial sizes in the $KLM$-bands between 0.3 - 1.5 mas, with no signs of elongation. Combining our measurements with VLTI/MIDI $N$-band data gives a full multi-wavelength picture of the dust structure. We find that in H0557-385, the dust sizes between $3.5-8\:\mu\mathrm{m}$ are independent of the wavelength, roughly constant at $3-10$ sublimation radii. We argue that this indicates a direct view of the wind launching region and, together with an absence of polar elongation, this implies that any wind would be launched in a preferentially equatorial direction or blown out by strong radiation pressure. The size-wavelength relation for both objects shows a preferentially disky equatorial dust distribution. We conclude that there is strong evidence that the Eddington ratio shapes the inner dust structure, most notably the wind-launching region and wind direction., Comment: 16 pages, 15 figures, 5 tables. Accepted for publication in MNRAS

It is well-known that water in both liquid and vapor phases exhibits exceptionally weak absorption of light in the visible range. Recent experiments, however, have demonstrated that at the liquid-air interface, absorption in the visible range is drastically increased. This increased absorption results in a rate of evaporation that exceeds the theoretical thermal limit by between two and five times. Curiously, the evaporation rate peaks at green wavelengths of light, while no corresponding absorptance peak has been observed. Experiments suggest that photons can cleave off clusters of water molecules at the surface, but no clear theoretical model has yet been proposed to explain how this is possible. This paper aims to present such a model and explain this surprising and important phenomenon., Comment: 10 pages, 4 figures; SI: 5 pages

The acquisition of 3D multicontrast MRI data with good isotropic spatial resolution is challenged by lengthy scan times. In this work, we introduce a CNN-based multiscale energy model to learn the joint probability distribution of the multi-contrast images. The joint recovery of the contrasts from undersampled data is posed as a maximum a posteriori estimation scheme, where the learned energy serves as the prior. We use a majorize-minimize algorithm to solve the optimization scheme. The proposed model leverages the redundancies across different contrasts to improve image fidelity. The proposed scheme is observed to preserve fine details and contrast, offering sharper reconstructions compared to reconstruction methods that independently recover the contrasts. While we focus on 3D MPNRAGE acquisitions in this work, the proposed approach is generalizable to arbitrary multi-contrast settings.

Spin states in semiconductors provide exceptionally stable and noise-resistant environments for qubits, positioning them as optimal candidates for reliable quantum computing technologies. The proposal to use nuclear and electronic spins of donor atoms in silicon, introduced by Kane in 1998, sparked a new research field focused on the precise positioning of individual impurity atoms for quantum devices, utilising scanning tunnelling microscopy and ion implantation. This roadmap article reviews the advancements in the 25 years since Kane's proposal, the current challenges, and the future directions in atomic-scale semiconductor device fabrication and measurement. It covers the quest to create a silicon-based quantum computer and expands to include diverse material systems and fabrication techniques, highlighting the potential for a broad range of semiconductor quantum technological applications. Key developments include phosphorus in silicon devices such as single-atom transistors, arrayed few-donor devices, one- and two-qubit gates, three-dimensional architectures, and the development of a toolbox for future quantum integrated circuits. The roadmap also explores new impurity species like arsenic and antimony for enhanced scalability and higher-dimensional spin systems, new chemistry for dopant precursors and lithographic resists, and the potential for germanium-based devices. Emerging methods, such as photon-based lithography and electron beam manipulation, are discussed for their disruptive potential. This roadmap charts the path toward scalable quantum computing and advanced semiconductor quantum technologies, emphasising the critical intersections of experiment, technological development, and theory., Comment: 94 pages

Pressure serves as a fundamental tuning parameter capable of drastically modifying all properties of matter. The advent of diamond anvil cells (DACs) has enabled a compact and tabletop platform for generating extreme pressure conditions in laboratory settings. However, the limited spatial dimensions and ultrahigh pressures within these environments present significant challenges for conventional spectroscopy techniques. In this work, we integrate optical spin defects within a thin layer of two-dimensional (2D) materials directly into the high-pressure chamber, enabling an in situ quantum sensing platform for mapping local stress and magnetic environments up to 4~GPa. Compared to nitrogen-vacancy (NV) centers embedded in diamond anvils, our 2D sensors exhibit around three times stronger response to local stress and provide nanoscale proximity to the target sample in heterogeneous devices. We showcase the versatility of our approach by imaging both stress gradients within the high-pressure chamber and a pressure-driven magnetic phase transition in a room-temperature self-intercalated van der Waals ferromagnet, Cr$_{1+\delta}$Te$_2$. Our work demonstrates an integrated quantum sensing device for high-pressure experiments, offering potential applications in probing pressure-induced phenomena such as superconductivity, magnetism, and mechanical deformation., Comment: 9 pages, 7 figures

The hot interiors of massive stars in the later stages of their evolution provide an ideal place for the production of heavy axion-like particles (ALPs) with mass up to O(100 keV) range. We show that a fraction of these ALPs could stream out of the stellar photosphere and subsequently decay into two photons that can be potentially detected on or near the Earth. In particular, we estimate the photon flux originating from the spontaneous decay of heavy ALPs produced inside Horizontal Branch and Wolf-Rayet stars, and assess its detectability by current and future $X$-ray and gamma-ray telescopes. Our results indicate that current and future telescopes can probe axion-photon couplings down to $g_{a\gamma} \sim 4\times 10^{-11}$ GeV${}^{-1}$ for $m_a\sim 10-100$ keV, which covers new ground in the ALP parameter space., Comment: 18 pages, 10 figures, 3 tables

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on a broad range of tasks. This survey introduces graph neural networks through the encoder-decoder framework and provides examples of decoders for a range of graph analytic tasks. It uses theory and numerous experiments on homogeneous graphs to illustrate the behavior of graph neural networks for different training sizes and degrees of graph complexity.

Large, high-purity single-crystals of hexagonal BN (h-BN) are essential for exploiting its many desirable and interesting properties. Here, we demonstrate via X-ray tomography, X-ray diffraction and scanning electron microscopy that h-BN crystals can be grown by traveling-solvent floating-zone (TSFZ). The diameters of grown boules range from 3 -- 5 mm with lengths from 2 -- 7 mm. Tomography indicates variable grain sizes within the boules, with the largest having areas of $\approx$ 1 mm $\times$ 2 mm and thickness $\approx$ 0.5 mm. Although the boules contain macroscale flux inclusions, the h-BN lattice itself is of high quality for samples grown under optimized conditions. The currently optimized growth procedure employs an Fe flux, moderate N$_2$ pressure ($P_{N2} \approx$ 6 bar), and a growth rate of 0.1 mm/h.Raman spectroscopy for an optimized sample gives an average linewidth of 7.7(2) cm$^{-1}$ for the $E_{2g}$ intralayer mode at 1365.46(4) cm$^{-1}$ and 1.0(1) cm$^{-1}$ for the $E_{2g}$ interlayer shear mode at 51.78(9) cm$^{-1}$. The corresponding photoluminescence spectrum shows sharp phonon-assisted free exciton peaks and minimal signal in the energy range corresponding to carbon-related defects ($E$ = 3.9 -- 4.1 eV). Our work demonstrates the viability of growing h-BN by the TSFZ technique, thereby opening a new route towards larger, high-quality crystals and advancing the state of h-BN related research., Comment: 12 pages, 6 figures + supplementary information. Submitted to J. Cryst. Growth

Human tutoring interventions play a crucial role in supporting student learning, improving academic performance, and promoting personal growth. This paper focuses on analyzing mathematics tutoring discourse using talk moves - a framework of dialogue acts grounded in Accountable Talk theory. However, scaling the collection, annotation, and analysis of extensive tutoring dialogues to develop machine learning models is a challenging and resource-intensive task. To address this, we present SAGA22, a compact dataset, and explore various modeling strategies, including dialogue context, speaker information, pretraining datasets, and further fine-tuning. By leveraging existing datasets and models designed for classroom teaching, our results demonstrate that supplementary pretraining on classroom data enhances model performance in tutoring settings, particularly when incorporating longer context and speaker information. Additionally, we conduct extensive ablation studies to underscore the challenges in talk move modeling., Comment: Accepted to COLING'2025

Strongly lensed quasars provide valuable insights into the rate of cosmic expansion, the distribution of dark matter in foreground deflectors, and the characteristics of quasar hosts. However, detecting them in astronomical images is difficult due to the prevalence of non-lensing objects. To address this challenge, we developed a generative deep learning model called VariLens, built upon a physics-informed variational autoencoder. This model seamlessly integrates three essential modules: image reconstruction, object classification, and lens modeling, offering a fast and comprehensive approach to strong lens analysis. VariLens is capable of rapidly determining both (1) the probability that an object is a lens system and (2) key parameters of a singular isothermal ellipsoid (SIE) mass model -- including the Einstein radius ($\theta_\mathrm{E}$), lens center, and ellipticity -- in just milliseconds using a single CPU. A direct comparison of VariLens estimates with traditional lens modeling for 20 known lensed quasars within the Subaru Hyper Suprime-Cam (HSC) footprint shows good agreement, with both results consistent within $2\sigma$ for systems with $\theta_\mathrm{E}<3$ arcsecs. To identify new lensed quasar candidates, we begin with an initial sample of approximately 80 million sources, combining HSC data with multiwavelength information from various surveys. After applying a photometric preselection aimed at locating $z>1.5$ sources, the number of candidates was reduced to 710,966. Subsequently, VariLens highlights 13,831 sources, each showing a high likelihood of being a lens. A visual assessment of these objects results in 42 promising candidates that await spectroscopic confirmation. These results underscore the potential of automated deep learning pipelines to efficiently detect and model strong lenses in large datasets., Comment: Accepted for publication in the Astronomy & Astrophysics journal and updated to reflect the revised version. The paper consists of 15 main pages, 12 figures, and 1 table. We welcome feedback and comments from readers!

We consider cylindrical algebraic decomposition (CAD) and the key concept of delineability which underpins CAD theory. We introduce the novel concept of projective delineability which is easier to guarantee computationally. We prove results about this which can allow reduced CAD computations., Comment: Accepted for publication in the Proceedings of the 26th International Symposium on Symbolic and Numeric Algorithms for Scientific Computing (SYNASC 2024)

To explain reported solar interfacial-evaporation rates from porous materials beyond an apparent 100% efficiency using the thermal evaporation mechanism, many publications hypothesize that intermediate water inside porous materials have a reduced latent heat. Key supporting evidence is that water-only surfaces have lower dark evaporation rates than porous evaporators, with the ratio of the two rates taken as the latent heat reduction. Through simulations and experiments, we present benchmark evaporation rates of water and show that reported differences in natural evaporation are likely due to experimental error from recessed evaporating surfaces rather than from reduced latent heat. A few millimeters recession of the evaporating surface can drop evaporation rates over 50% due to a stagnant air layer, suggesting that the comparative experiments are prone to error and the latent heat reduction hypothesis cannot be substantiated. Our results indicate that new mechanistic directions need to be pursued to understand superthermal evaporation., Comment: 49 pages, 5 main figures, 12 SI figures

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of accuracy, atom count (spatial scale), and duration (temporal scale). Since the mid-2000s, computer platforms have however failed to provide strong scaling for MD as scale-out CPU and GPU platforms that provide substantial increases to spatial scale do not lead to proportional increases in temporal scale. Important scientific problems therefore remained inaccessible to direct simulation, prompting the development of increasingly sophisticated algorithms that present significant complexity, accuracy, and efficiency challenges. While bespoke MD-only hardware solutions have provided a path to longer timescales for specific physical systems, their impact on the broader community has been mitigated by their limited adaptability to new methods and potentials. In this work, we show that a novel computing architecture, the Cerebras Wafer Scale Engine, completely alters the scaling path by delivering unprecedentedly high simulation rates up to 1.144M steps/second for 200,000 atoms whose interactions are described by an Embedded Atom Method potential. This enables direct simulations of the evolution of materials using general-purpose programmable hardware over millisecond timescales, dramatically increasing the space of direct MD simulations that can be carried out.

The neutron star low-mass X-ray binary, EXO 0748--676, recently returned to outburst after a $\sim$ 16 year-long quiescence. Since its return, there has been a global effort to capture the previously unseen rise of the source and to understand its somewhat early return to outburst, as it is typical for a source to spend longer in quiescence than in outburst. Here, we report on the simultaneous optical and X-ray detection of a type I X-ray burst, captured by XMM-Newton during a DDT observation on 30th June 2024. The data show 3 X-ray eclipses consistent with the known ephemeris and one type I X-ray burst at 60492.309 MJD. The X-ray burst is reprocessed into the optical band and captured by XMM-Newton's Optical Monitor during a 4399 s exposure with the B filter in image + fast mode. We determine that the optical peak lags the X-ray peak by 4.46 $\pm$ 1.71s. The optical and X-ray rise times are similar, but the optical decay timescale is shorter than the X-ray decay timescale. The reprocessing site is likely within a few light seconds of the X-ray emitting region, so the companion star, accretion disc and ablated material are all plausible., Comment: 6 Pages, 3 Figures, Accepted for Publication in MNRAS Letters

When developing machine learning models, image quality assessment (IQA) measures are a crucial component for evaluation. However, commonly used IQA measures have been primarily developed and optimized for natural images. In many specialized settings, such as medical images, this poses an often-overlooked problem regarding suitability. In previous studies, the IQA measure HaarPSI showed promising behavior for natural and medical images. HaarPSI is based on Haar wavelet representations and the framework allows optimization of two parameters. So far, these parameters have been aligned for natural images. Here, we optimize these parameters for two annotated medical data sets, a photoacoustic and a chest X-Ray data set. We observe that they are more sensitive to the parameter choices than the employed natural images, and on the other hand both medical data sets lead to similar parameter values when optimized. We denote the optimized setting, which improves the performance for the medical images notably, by HaarPSI$_{MED}$. The results suggest that adapting common IQA measures within their frameworks for medical images can provide a valuable, generalizable addition to the employment of more specific task-based measures., Comment: 5 pages, 3 figures, 2 tables

Outflows are critical components of many astrophysical systems, including accreting compact binaries and active galactic nuclei (AGN). These outflows can significantly affect a system's evolution and alter its observational appearance by reprocessing the radiation produced by the central engine. Sirocco (Simulating Ionization and Radiation in Outflows Created by Compact Objects - or "the code formerly known as Python") is a Sobolev-based Monte Carlo ionization and radiative transfer code. It is designed to simulate the spectra produced by any system with an azimuthally-symmetric outflow, from spherical stellar winds to rotating, biconical accretion disc winds. Wind models can either be parametrized or imported, e.g. from hydrodynamical simulations. The radiation sources include an optically thick accretion disc and various central sources with flexible spectra and geometries. The code tracks the "photon packets" produced by the sources in any given simulation as they traverse and interact with the wind. The code assumes radiative near-equilibrium, so the thermal and ionization state can be determined iteratively from these interactions. Once the physical properties in the wind have converged, Sirocco can be used to generate synthetic spectra at a series of observer sightlines. Here, we describe the physical assumptions, operation, performance and limitations of the code. We validate it against tardis, cmfgen and cloudy, finding good agreement, and present illustrative synthetic spectra from disc winds in cataclysmic variables, tidal disruption events, AGN and X-ray binaries. Sirocco is publicly available on GitHub, alongside its associated data, documentation and sample input files covering a wide range of astrophysical applications., Comment: 26 pages, 16 figures. Submitted to MNRAS. This is the release paper for the SIROCCO code, which can be found at https://github.com/sirocco-rt/sirocco with links to documentation. Underlying data and figure scripts available at https://github.com/sirocco-rt/release-models -- comments on the code, paper or documentation are welcomed

Active Galactic Nuclei (AGN) are objects located in the heart of galaxies which emit powerful and complex radiation across the electromagnetic spectrum. Understanding AGN has become a topic of interest due to their importance in galactic evolution and their ability to act as a probe to the distant Universe. Within the next few years, wide-field surveys such as the Legacy Survey of Space and Time (LSST) at the Rubin Vera Observatory are expected to increase the number of known AGN to $\mathcal{O} (10^{7})$ and the number of strongly lensed AGN to $\mathcal{O} (10^{4})$. In this paper we introduce \texttt{Amoeba}: an AGN Model of Optical Emission Beyond steady-state Accretion discs. The goal of \texttt{Amoeba} is to provide a modular and flexible modelling environment for AGN, in which all components can interact with each other. Through this work we describe the framework for major AGN components to vary self-consistently and keep flux distributions to connect these components to spatial dependent processes. We model properties beyond traditional single-component models, such as the reverberation of the corona's bending power law power spectrum through the accretion disc and broad line region (BLR). We simulate obscuration by the dusty torus and differential magnification of the disc and BLR due to microlensing. These features are joined together to create some of the most realistic light curve simulations to date. \texttt{Amoeba} takes a step forward in AGN modelling by joining the accretion disc, BLR, torus, intrinsic signal, and microlensing into a coherent model.

Microwave transmission line spectroscopy is used to observe the integer quantum Hall effect in two samples of monolayer graphene with different geometries that are resistively-coupled to a coplanar waveguide. We find plateaus in transmitted power that do not vary significantly with microwave frequency but are significantly different for two samples due to their shape. With each drop in transmitted power corresponding to an additional quantum Hall edge mode that short the transmission line to ground, these well-known quanta of conductance allow us to calibrate the sensitivity of the devices. One sample with short contact regions matched the sensitivity expected when considering only the quantum Hall conductance of $\nu e^2/h$; another sample with long contact regions demonstrated a nearly three-fold enhancement in sensitivity. We model this result with a purely resistive circuit that introduces an additional resistance to explain the increased sensitivity.

We introduce a black-box auxiliary field quantum Monte Carlo (AFQMC) approach to perform highly accurate electronic structure calculations using configuration interaction singles and doubles (CISD) trial states. This method consistently provides more accurate energy estimates than coupled cluster singles and doubles with perturbative triples (CCSD(T)), often regarded as the gold standard in quantum chemistry. This level of precision is achieved at a lower asymptotic computational cost, scaling as $O(N^6)$ compared to the $O(N^7)$ scaling of CCSD(T). We provide numerical evidence supporting these findings through results for challenging main group and transition metal-containing molecules., Comment: 19 pages, 13 figures

Field-effect devices constructed by stacking flakes of van der Waals (vdW) materials, with hexagonal boron nitride (hBN) playing the role of gate dielectric, often exhibit virtually no hysteresis in their characteristics. This permits exquisitely detailed studies of diverse gate-voltage-tuned phenomena in vdW devices. Recently, however, a dramatic form of gate hysteresis, sometimes called the "gate doesn't work" (GDW) or "electron ratchet" effect, has been seen in certain individual vdW devices that seem otherwise unexceptional. When it occurs, this hysteresis phenomenon is striking and robust, yet it is difficult to reliably reproduce between devices and, largely as a result, its origin remains disputed. Most devices where it has been seen have a bilayer graphene channel and nominal rotational alignment between the graphene and hBN, which has engendered explanations based on properties of bilayer graphene combined with moir\'e effects. Here, we report our studies of the phenomenon observed in devices that have multilayer graphene channels. We find that the effect can occur in devices with graphite channels that have many more than two graphene layers, in which case it is unambiguously associated with just one surface of the graphite. It can also survive to room temperature, occur in the absence of intentional rotational alignment with hBN, persist when a monolayer of WSe2 is inserted between the graphene and hBN, and exhibit continuous relaxation on timescales of hours or longer. These observations impose strong constraints on the origin of this puzzling phenomenon, which has exciting potential applications if it can be mastered., Comment: 7 pages, 4 figures, 12 supplementary information figures, 1 supplementary information table

One of the most captivating properties of polaritons is their capacity to confine light at the nanoscale. This confinement is even more extreme in two-dimensional (2D) materials. 2D polaritons have been investigated by optical measurements using an external photodetector. However, their effective spectrally resolved electrical detection via far-field excitation remains unexplored. This fact hinders their potential exploitation in crucial applications such as sensing molecules and gases, hyperspectral imaging and optical spectrometry, banking on their potential for integration with silicon technologies. Herein, we present the first electrical spectroscopy of polaritonic nanoresonators based on a high-quality 2D-material heterostructure, which serves at the same time as the photodetector and the polaritonic platform. We employ metallic nanorods to create hybrid nanoresonators within the hybrid plasmon-phonon polaritonic medium in the mid and long-wave infrared ranges. Subsequently, we electrically detect these resonators by near-field coupling to a graphene pn-junction. The nanoresonators simultaneously present a record of lateral confinement and high-quality factors of up to 200, exhibiting prominent peaks in the photocurrent spectrum, particularly at the underexplored lower reststrahlen band of hBN. We exploit the geometrical and gate tunability of these nanoresonators to investigate their impact on the photocurrent spectrum and the polaritonic's waveguided modes. This work opens a venue for studying this highly tunable and complex hybrid system, as well as for using it in compact platforms for sensing and photodetection applications., Comment: 34 pages, 4 main figures and 22 supplementary figures

Least Squares Tensor Hypercontraction (LS-THC) has received some attention in recent years as an approach to reduce the significant computational costs of wavefunction based methods in quantum chemistry. However, previous work has demonstrated that the LS-THC factorization performs disproportionately worse in the description of wavefunction components (e.g. cluster amplitudes $\hat{T}_2$) than Hamiltonian components (e.g. electron repulsion integrals $(pq|rs)$). This work develops novel theoretical methods to study the source of these errors in the context of the real-space $\hat{T}_2$ kernel, and reports, for the first time, the existence of a "correlation feature" in the errors of the LS-THC representation of the "exchange-like" correlation energy $E_X$ and $\hat{T}_2$ that is remarkably consistent across ten molecular species, three correlated wavefunctions, and four basis sets. This correlation feature portends the existence of a "pair-point kernel" missing in the usual LS-THC representation of the wavefunction, which critically depends upon pairs of grid points situated close to atoms and with inter-pair distances between one and two Bohr radii. These findings point the way for future LS-THC developments to address these shortcomings.

Computer algebra systems are really good at factoring polynomials, i.e. writing f as a product of irreducible factors. It is relatively easy to verify that we have a factorisation, but verifying that these factors are irreducible is a much harder problem. This paper reports work-in-progress to do such verification in Lean.

This paper explores the concept of external magnetic control for vine robots to enable their high curvature steering and navigation for use in endoluminal applications. Vine robots, inspired by natural growth and locomotion strategies, present unique shape adaptation capabilities that allow passive deformation around obstacles. However, without additional steering mechanisms, they lack the ability to actively select the desired direction of growth. The principles of magnetically steered growing robots are discussed, and experimental results showcase the effectiveness of the proposed magnetic actuation approach. We present a 25 mm diameter vine robot with integrated magnetic tip capsule, including 6 Degrees of Freedom (DOF) localization and camera and demonstrate a minimum bending radius of 3.85 cm with an internal pressure of 30 kPa. Furthermore, we evaluate the robot's ability to form tight curvature through complex navigation tasks, with magnetic actuation allowing for extended free-space navigation without buckling. The suspension of the magnetic tip was also validated using the 6 DOF localization system to ensure that the shear-free nature of vine robots was preserved. Additionally, by exploiting the magnetic wrench at the tip, we showcase preliminary results of vine retraction. The findings contribute to the development of controllable vine robots for endoluminal applications, providing high tip force and shear-free navigation., Comment: 13 pages, 10 figures

Tidal disruption events (TDEs) can generate non-spherical, relativistic and optically thick outflows. Simulations show that the radiation we observe is reprocessed by these outflows. According to a unified model suggested by these simulations, the spectral energy distributions (SEDs) of TDEs depend strongly on viewing angle: low [high] optical-to-X-ray ratios (OXRs) correspond to face-on [edge-on] orientations. Post-processing with radiative transfer codes have simulated the emergent spectra, but have so far been carried out only in a quasi-1D framework, with three atomic species (H, He and O). Here, we present 2.5D Monte Carlo radiative transfer simulations which model the emission from a non-spherical outflow, including a more comprehensive set of cosmically abundant species. While the basic trend of OXR increasing with inclination is preserved, the inherently multi-dimensional nature of photon transport through the non-spherical outflow significantly affects the emergent SEDs. Relaxing the quasi-1D approximation allows photons to preferentially escape in (polar) directions of lower optical depth, resulting in a greater variation of bolometric luminosity as a function of inclination. According to our simulations, inclination alone may not fully explain the large dynamic range of observed TDE OXRs. We also find that including metals, other than Oxygen, changes the emergent spectra significantly, resulting in stronger absorption and emission lines in the extreme ultraviolet, as well a greater variation in the OXR as a function of inclination. Whilst our results support previously proposed unified models for TDEs, they also highlight the critical importance of multi-dimensional ionization and radiative transfer., Comment: 17 pages, 15 figures. Submitted to MNRAS

Van-der-Waals materials have been shown to support numerous exotic polaritonic phenomena originating from their layered structures and associated vibrational and electronic properties. This includes emergent polaritonic phenomena, including hyperbolicity and exciton-polariton formation. However, many van-der-Waals materials' unique properties are most prominent at cryogenic temperatures. This presents a particular challenge for polaritonics research, as reliable optical constant data is required for understanding light-matter coupling. For infrared polaritonics (3-100um), the small size of exfoliated flakes makes conventional ellipsometry impossible. This paper presents a cryogenic Fourier transform infrared microscope design constructed entirely from off-the-shelf components and fitting procedures for determining optical constants. We use this microscope to present the first temperature-dependent characterization of the optical properties of hexagonal boron nitride grown with isotopically pure boron. We show that Fabry Perot-type resonances close to the transverse optical phonon show the key temperature-dependent tuning of several parameters. Our full analysis of the infrared dielectric function shows small but significant tuning of the optical constants, which is highly consistent with Raman data from the literature. We then use this dielectric data to perform and analyze the polariton propagation properties, which agree extremely well with published cryogenic scattering-type nearfield microscopy results. In addition to the insights gained into hyperbolic polaritons in hBN, our paper represents a transferable framework for characterizing exfoliated infrared polaritonic materials and other infrared devices. This could accelerate discoveries in other material systems, especially those that are spatially inhomogeneous or cannot be prepared as large single crystals.

Evaluations of the orbital Hall effect (OHE) have only retained inter-band matrix elements of the position operator. Here we evaluate the OHE including all matrix elements of the position operator, including the technically challenging intra-band elements. We recover previous results and find quantum corrections due to the non-commutativity of the position and velocity operators and inter-band matrix elements of the orbital angular momentum. The quantum corrections dominate the OHE responses of the topological antiferromagnet CuMnAs and of massive Dirac fermions.

Obtaining sub-chemical accuracy (1 kJ mol${}^{-1}$) for reaction energies of medium-sized gas-phase molecules is a longstanding challenge in the field of thermochemical modeling. The perturbative triples correction to CCSD, CCSD(T), constitutes an important component of all high-accuracy composite model chemistries that obtain this accuracy, but can be a roadblock in the calculation of medium to large systems due to its $\mathcal{O}(N^7)$ scaling, particularly in HEAT-like model chemistries that eschew separation of core and valance correlation. This study extends the work of Lesiuk [J. Chem. Phys. 156, 064103 (2022)] with new approximate methods and assesses the accuracy of five different approximations of (T) in the context of a subset of molecules selected from the W4-17 dataset. It is demonstrated that all of these approximate methods can achieve sub-0.1 kJ mol${}^{-1}$ accuracy with respect to canonical, density-fitted (T) contributions with a modest number of projectors. The approximation labeled $\tilde{Z}T$ appears to offer the best trade-off between cost and accuracy and shows significant promise in an order-of-magnitude reduction in the computational cost of the CCSD(T) component of high-accuracy model chemistries.

Machine learning techniques have recently been of great interest for solving differential equations. Training these models is classically a data-fitting task, but knowledge of the expression of the differential equation can be used to supplement the training objective, leading to the development of physics-informed scientific machine learning. In this article, we focus on one class of models called nonlinear vector autoregression (NVAR) to solve ordinary differential equations (ODEs). Motivated by connections to numerical integration and physics-informed neural networks, we explicitly derive the physics-informed NVAR (piNVAR) which enforces the right-hand side of the underlying differential equation regardless of NVAR construction. Because NVAR and piNVAR completely share their learned parameters, we propose an augmented procedure to jointly train the two models. Then, using both data-driven and ODE-driven metrics, we evaluate the ability of the piNVAR model to predict solutions to various ODE systems, such as the undamped spring, a Lotka-Volterra predator-prey nonlinear model, and the chaotic Lorenz system.

When developing robust preconditioners for multiphysics problems, fractional functions of the Laplace operator often arise and need to be inverted. Rational approximation in the uniform norm can be used to convert inverting those fractional operators into inverting a series of shifted Laplace operators. Care must be taken in the approximation so that the shifted Laplace operators remain symmetric positive definite, making them better conditioned. In this work, we study two greedy algorithms for finding rational approximations to such fractional operators. The first algorithm improves the orthogonal greedy algorithm discussed in [Li et al., SISC, 2024] by adding one minimization step in the uniform norm to the procedure. The second approach employs the weak Chebyshev greedy algorithm in the uniform norm. Both methods yield non-increasing error. Numerical results confirm the effectiveness of our proposed algorithms, which are also flexible and applicable to other approximation problems. Moreover, with effective rational approximations to the fractional operator, the resulting algorithms show good performance in preconditioning a Darcy-Stokes coupled problem.

Coupled cluster theory has had a momentous impact on the ab initio prediction of molecular properties, and remains a staple ingratiate in high-accuracy thermochemical model chemistries. However, these methods require inclusion of at least some connected quadruple excitations, which generally scale at best as $\mathcal{O}(N^9)$ with the number of basis functions. It very difficult to predict, a priori, the effect correlation past CCSD(T) has on a give reaction energies. The purpose of this work is to examine cost-effective quadruple corrections based on the factorization theorem of many-body perturbation theory that may address these challenges. We show that the $\mathcal{O}(N^7)$, factorized CCSD(TQ${}_\text{f}$) method introduces minimal error to predicted correlation and reaction energies as compared to the $\mathcal{O}(N^9)$ CCSD(TQ). Further, we examine the performance of Goodson's continued fraction method in the estimation of CCSDT(Q)${}_\Lambda$ contributions to reaction energies, as well as a "new" method related to %TAE[(T)] that we refer to as a scaled perturbation estimator. We find that the scaled perturbation estimator based upon CCSD(TQ${}_\text{f}$)/cc-pVDZ is capable of predicting CCSDT(Q)${}_\Lambda$/cc-pVDZ contributions to reaction energies with an average error of 0.07 kcal mol${}^{-1}$ and a RMST of 0.52 kcal mol${}^{-1}$ when applied to a test-suite of nearly 3000 reactions. This offers a means by which to reliably ballpark how important post-CCSD(T) contributions are to reaction energies while incurring no more than CCSD(T) formal cost and a little mental math.

Many high-state cataclysmic variables (CVs) exhibit blue-shifted absorption features in their ultraviolet (UV) spectra -- a smoking-gun signature of outflows. However, the impact of these outflows on {\em optical} spectra remains much more uncertain. During its recent outburst, the eclipsing dwarf nova V455 And displayed strong optical emission lines whose cores were narrower than expected from a Keplerian disc. Here, we explore whether disc + wind models developed for matching UV observations of CVs can also account for these optical spectra. Importantly, V455~And was extremely bright at outburst maximum: the accretion rate implied by fitting the optical continuum with a standard disc model is $\dot{M}_{\rm acc} \simeq 10^{-7}~{\rm M}_\odot~{\rm yr^{-1}}$. Allowing for continuum reprocessing in the outflow helps to relax this constraint. A disk wind can also broadly reproduce the optical emission lines, but only if the wind is (i) highly mass-loaded, with a mass-loss rate reaching $\dot{M}_{\rm wind} \simeq 0.4 \dot{M}_{\rm acc}$, and/or (ii) clumpy, with a volume filling factor $f_V \simeq 0.1$. The same models can describe the spectral evolution across the outburst, simply by lowering $\dot{M}_{\rm acc}$ and $\dot{M}_{\rm wind}$. Extending these models to lower inclinations and into the UV produces spectra consistent with those observed in face-on high-state CVs. We also find, for the first time in simulations of this type, P-Cygni-like absorption features in the Balmer series, as have been observed in both CVs and X-ray binaries. Overall, dense disc winds provide a promising framework for explaining multiple observational signatures seen in high-state CVs, but theoretical challenges persist., Comment: 13 pages, 9 figures, 3 tables. Accepted for publication in MNRAS

The Extreme Universe Space Observatory on a Super Pressure Balloon 2 (EUSO-SPB2) flew on May 13$^{\text{th}}$ and 14$^{\text{th}}$ of 2023. Consisting of two novel optical telescopes, the payload utilized next-generation instrumentation for the observations of extensive air showers from near space. One instrument, the fluorescence telescope (FT) searched for Ultra-High Energy Cosmic Rays (UHECRs) by recording the atmosphere below the balloon in the near-UV with a 1~$\mu$s time resolution using 108 multi-anode photomultiplier tubes with a total of 6,912 channels. Validated by pre-flight measurements during a field campaign, the energy threshold was estimated around 2~EeV with an expected event rate of approximately 1 event per 10 hours of observation. Based on the limited time afloat, the expected number of UHECR observations throughout the flight is between 0 and 2. Consistent with this expectation, no UHECR candidate events have been found. The majority of events appear to be detector artifacts that were not rejected properly due to a shortened commissioning phase. Despite the earlier-than-expected termination of the flight, data were recorded which provide insights into the detectors stability in the near-space environment as well as the diffuse ultraviolet emissivity of the atmosphere, both of which are impactful to future experiments.

Understanding the links between different phases of outflows from active galactic nuclei is a key goal in extragalactic astrophysics. Here we compare [OIII] $\lambda\lambda$4960,5008 outflow signatures in quasars with and without Broad Absorption Lines (BALs), aiming to test how the broad absorption troughs seen in the rest-frame ultraviolet are linked to the narrow line region outflows seen in the rest-frame optical. We present new near-infrared spectra from Magellan/FIRE which cover [OIII] in 12 quasars with 2.1 < z < 2.3, selected to have strong outflow signatures in CIV $\lambda$1550. Combining with data from the literature, we build a sample of 73 BAL, 115 miniBAL and 125 non-BAL QSOs with 1.5 < z < 2.6. The strength and velocity width of [OIII] correlate strongly with the CIV emission properties, but no significant difference is seen in the [OIII] emission-line properties between the BALs, non-BALs and miniBALs once the dependence on CIV emission is taken into account. A weak correlation is observed between the velocities of CIV BALs and [OIII] emission, which is accounted for by the fact that both outflow signatures correlate with the underlying CIV emission properties. Our results add to the growing evidence that BALs and non-BALs are drawn from the same parent population and are consistent with a scenario wherein BAL troughs are intermittent tracers of persistent quasar outflows, with a part of such outflow becoming optically thick along our line-of-sight for sporadic periods of time within which BALs are observed., Comment: 14 pages, 6 figures. Accepted for publication in MNRAS

The negatively charged boron vacancy ($\mathrm{V}_{\mathrm{B}}^-$) in hexagonal boron nitride (hBN) has garnered significant attention among defects in two-dimensional materials. This owes, in part, to its deterministic generation, well-characterized atomic structure, and optical polarizability at room temperature. We investigate the latter through extensive measurements probing both the ground and excited state polarization dynamics. We develop a semiclassical model based on these measurements that predicts a near-unity degree of spin polarization, surpassing other solid-state spin defects under ambient conditions. Building upon our model, we include the presence of nuclear spin degrees of freedom adjacent to the $\mathrm{V}_{\mathrm{B}}^-$ and perform a comprehensive set of Lindbladian numerics to investigate the hyperfine-induced polarization of the nuclear spins. Our simulations predict a number of important features that emerge as a function of magnetic field which are borne out by experiment.

Black hole (BH) superradiance can provide strong constraints on the properties of ultralight bosons (ULBs). Since most of the previous work has focused on the theoretical predictions, here we investigate the most suitable statistical framework to constrain ULB masses and self-interactions. We argue that a Bayesian approach provides a clear statistical interpretation, deals with limitations regarding the reproducibility of existing BH analyses, incorporates the full information from BH data, and allows us to include additional nuisance parameters or to perform hierarchical modelling with BH populations in the future. We demonstrate the feasibility of our approach using mass and spin posterior samples for the X-ray binary BH M33 X-7 and, for the first time in this context, the supermassive BH IRAS 09149-6206. We explain the differences to existing ULB constraints in the literature and illustrate the effects of various assumptions about the superradiance process (equilibrium regime vs cloud collapse, higher occupation levels). As a result, our procedure yields the most rigorous ULB constraints available in the literature, with important implications for the QCD axion and axion-like particles. We encourage all groups analysing BH data to publish likelihood functions or posterior samples as supplementary material to facilitate this type of analysis., Comment: 13+2 pages, 6 figures, software code available at https://github.com/sebhoof/bhsr

The most popular Cross-Document Event Coreference Resolution (CDEC) datasets fail to convey the true difficulty of the task, due to the lack of lexical diversity between coreferring event triggers (words or phrases that refer to an event). Furthermore, there is a dearth of event datasets for figurative language, limiting a crucial avenue of research in event comprehension. We address these two issues by introducing ECB+META, a lexically rich variant of Event Coref Bank Plus (ECB+) for CDEC on symbolic and metaphoric language. We use ChatGPT as a tool for the metaphoric transformation of sentences in the documents of ECB+, then tag the original event triggers in the transformed sentences in a semi-automated manner. In this way, we avoid the re-annotation of expensive coreference links. We present results that show existing methods that work well on ECB+ struggle with ECB+META, thereby paving the way for CDEC research on a much more challenging dataset. Code/data: https://github.com/ahmeshaf/llms_coref, Comment: Short Paper, ACL 2024