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High redshift observations of 10$^9$ M$_\odot$ supermassive black holes (SMBHs) at $z \sim7$ and `Little Red Dots' that may host overmassive black holes at $z>4$ suggests the existence of so-called heavy seeds (>1000 M$_\odot$) in the early Universe. Recent work has suggested that the rapid assembly of halos may be the key to forming heavy seeds early enough in the Universe to match such observations without the need for extreme radiation fields or dark matter streaming velocities. We perform simulations of BH seed formation in 4 distinct idealised halo collapse scenarios; an isolated 10$^6$ M$_\odot$ minihalo, an isolated 10$^7$ M$_\odot$ atomic halo, the direct collision of two 10$^7$ M$_\odot$ halos and a fly-by collision of two 10$^7$ M$_\odot$ halos. We have shown that halo collisions create a central environment of enhanced density, inside which BH seeds can accrete at enhanced rates. For direct collisions, the gas density peaks are disrupted by the interaction, as the collisionless DM peaks pass through each other while the colliding gas is left in the center, removing the sink particle from its accretion source. When the central density peaks instead experience a fly-by interaction, the sink particle remains embedded in the dense gas and maintains enhanced accretion rates throughout the simulated period when compared to the isolated halo cases. Here the final mass of the sink particle achieved a factor of 2 greater in mass than in the isolated atomic halo case, and a factor of 3 greater than the minihalo case, reaching 10$^4$ M$_\odot$ via its 0.03 pc accretion radius. As the maximum halo mass before collapse is determined by the atomic cooling limit of a few times 10$^7$ M$_{\odot}$, the ability of halo-halo mergers to further boost accretion rates onto the central object may play a crucial role in growing SMBH seeds., Comment: Submitted to A&A

The existence of bound doubly heavy tetraquark states was confirmed by the recent LHCb discovery of the doubly charmed $T_{cc}$, less than 1 MeV below the meson pair threshold. Others states with two heavy (bottom or charm) quarks could also be bound, perhaps more deeply. Here we discuss our previous work, and the improvements in our current, updated analysis of various heavy-heavy-light-light tetraquark candidates, including the light and heavy quark mass dependence of the binding., Comment: PoS contribution to LATTICE2024. 10 pages, 7 figures

The formation of massive objects via gravitational collapse is relevant both for explaining the origin of the first supermassive black holes and in the context of massive star formation. Here, we analyze simulations of the formation of massive objects pursued by different groups and in various environments, concerning the formation of supermassive black holes, primordial stars, as well as present-day massive stars. We focus particularly on the regime of small virial parameters, i.e., low ratios of the initial kinetic to gravitational energy, low to moderate Mach numbers, and the phase before feedback is very efficient. We compare the outcomes of collapse under different conditions using dimensionless parameters, particularly the star formation efficiency \epsilon_*, the fraction f_* of mass in the most massive object relative to the total stellar mass, and the fraction f_{\rm tot} of mass of the most massive object as a function of the total mass. We find that in all simulations analyzed here, f_{\rm tot} increases as a function of \epsilon_*, although the steepness of the increase depends on the environment. The relation between f_* and \epsilon_* is found to be more complex and also strongly depends on the number of protostars present at the beginning of the simulations. We show that a collision parameter, estimated as the ratio of the system size divided by the typical collision length, allows us to approximately characterize whether collisions will be important. We analyze the statistical correlation between the dimensionless quantities using the Spearman coefficient and confirm via a machine learning analysis that good predictions of f_* can be obtained from \epsilon_* together with a rough estimate of the collision parameter. This suggests that a good estimate of the mass of the most massive object can be obtained once the maximum efficiency for a given environment is known., Comment: 13 pages, 8 figures, 2 tables. Submitted to A&A

We update earlier lattice results for the binding energies of the flavor antitriplet of strong-interaction-stable doubly bottom, $J^P=1^+$ tetraquarks, employing an extended sink construction which produces significantly improved ground-state effective-mass plateaus, as well as new, larger-volume ensembles which reduce possible finite-volume effects at lighter pion masses. The updated bindings are $115(17)$ MeV for the $I=0$ member of the antitriplet and $47(8)$ MeV for its $I=1/2$ partner. We also provide an update of our earlier study of the variable heavy mass dependence of binding in the $1^+$ channel and new results on this dependence for binding in the $0^+$ channel, accessible when the two heavy quarks have unequal masses. Implications of these results of potential relevance to experimental searches for signals of the production of doubly bottom tetraquarks and/or a possible bottom-charm partner of the $T_{cc}$ are also discussed., Comment: 27 pages, 7 figures. This version accepted by PRD

Quantum computation (QC) and simulation rely on long-lived qubits with controllable interactions. Early work in quantum computing made use of molecules because of their readily available intramolecular nuclear spin coupling and chemical shifts, along with mature nuclear magnetic resonance techniques. Subsequently, the pursuit of many physical platforms has flourished. Trapped polar molecules have been proposed as a promising quantum computing platform, offering scalability and single-particle addressability while still leveraging inherent complexity and strong couplings of molecules. Recent progress in the single quantum state preparation and coherence of the hyperfine-rotational states of individually trapped molecules allows them to serve as promising qubits, with intermolecular dipolar interactions creating entanglement. However, universal two-qubit gates have not been demonstrated with molecules. Here, we harness intrinsic molecular resources to implement a two-qubit iSWAP gate using individually trapped $X^{1}\Sigma^{+}$ NaCs molecules. We characterize the innate dipolar interaction between rotational states and control its strength by tuning the polarization of the traps. By allowing the molecules to interact for 664 $\mu$s at a distance of 1.9 $\mu$m, we create a maximally entangled Bell state with a fidelity of 94(3)\%, following postselection to remove trials with empty traps. Using motion-rotation coupling, we measure residual excitation of the lowest few motional states along the axial trapping direction and find them to be the primary source of decoherence. Finally, we identify two non-interacting hyperfine states within the ground rotational level in which we encode a qubit. The interaction is toggled by transferring between interacting and non-interacting states to realize an iSWAP gate. We verify the gate performance by measuring its logical truth table.

Polar molecules are a quantum resource with rich internal structure that can be coherently controlled. The structure, however, also makes the state preparation and measurement (SPAM) of molecules challenging. We advance the SPAM of individual molecules assembled from constituent atoms trapped in optical tweezer arrays. Sites without NaCs molecules are eliminated using high-fidelity Cs atom detection, increasing the peak molecule filling fraction of the array threefold. We site-selectively initialize the array in a rotational qubit subspace that is insensitive to differential AC Stark shifts from the optical tweezer. Lastly, we detect multiple rotational states per experimental cycle by imaging atoms after sequential state-selective dissociations. These demonstrations extend the SPAM capabilities of molecules for quantum information, simulation, and metrology.

Halos with masses in excess of the atomic limit are believed to be ideal environments in which to form heavy black hole seeds with masses above 10^3 Msun. In cases where the H_2 fraction is suppressed this is expected to lead to reduced fragmentation of the gas and the generation of a top heavy initial mass function. In extreme cases this can result in the formation of massive black hole seeds. Resolving the initial fragmentation scale and the resulting protostellar masses has, until now, not been robustly tested. Cosmological simulations were performed with the moving mesh code Arepo using a primordial chemistry network until z = 11. Three haloes with masses in excess of the atomic cooling mass were then selected for detailed examination via zoom-ins. The highest resolution simulations resolve densities up to 10^-6 g cm^-3 (10^18 cm^-3) and capture a further 100 yr of fragmentation behaviour at the center of the halo. Our simulations show intense fragmentation in the central region of the halos, leading to a large number of near-solar mass protostars. Despite the increased fragmentation the halos produce a protostellar mass spectrum that peaks at higher masses relative to standard Population III star forming halos. The most massive protostars have accretion rates of 10^-3-10^-1 Msun yr^-1 after the first 100 years of evolution, while the total mass of the central region grows at 1 Msun yr^-1. Lower resolution zoom-ins show that the total mass of the system continues to accrete at 1 Msun yr^-1 for at least 10^4 yr, although how this mass is distributed amongst the rapidly growing number of protostars is unclear. However, assuming that a fraction of stars can continue to accrete rapidly the formation of a sub-population of stars with masses in excess of 10^3 Msun is likely in these halos., Comment: Submitted to A&A, comments welcome

Advanced primordial chemistry networks have been developed to model the collapse of metal-free baryonic gas within the gravitational well of dark matter (DM) halos and its subsequent collapse into Population III stars. At the low densities of 10^-26-10^-21 g cm-3 (10-3-10^2 cm-3) the collapse is dependent on H2 production, which is a function of the compressional heating provided by the DM potential. Once the gas decouples from the DM, the temperature-density relationship follows a well established path dictated by various chemical reactions until the formation of the protostar at 10^-4 g cm-3 (10^19 cm-3). Here we explore the feasibility of replacing the chemical network (CN) with a barotropic equation of state (EoS) just before the formation of the first protostar, to reduce the computational load of simulating the further fragmentation, evolution and characteristics of the very high density gas. We find a significant reduction in fragmentation when using the EoS. The EoS method produces a protostellar mass distribution that peaks at higher masses when compared to CN runs. The change in fragmentation behaviour is due to a lack of cold gas falling in through the disc around the first protostar when using an EoS. Despite this, the total mass accreted across all sinks was invariant to the switch to an EoS, hence the star formation rate (Msun yr^-1) is accurately predicted using an EoS. The EoS routine is approximately 4000 times faster than the CN, however this numerical gain is offset by the lack of accuracy in modelling secondary protostar formation and hence its use must be considered carefully., Comment: Accepted in the Open Journal of Astrophysics

We demonstrate long rotational coherence of individual polar molecules in the motional ground state of an optical trap. In the present, previously unexplored regime, the rotational eigenstates of molecules are dominantly quantized by trapping light rather than static fields, and the main source of decoherence is differential light shift. In an optical tweezer array of NaCs molecules, we achieve a three-orders-of-magnitude reduction in differential light shift by changing the trap's polarization from linear to a specific "magic" ellipticity. With spin-echo pulses, we measure a rotational coherence time of 62(3) ms (one pulse) and 250(40) ms (up to 72 pulses), surpassing the projected duration of resonant dipole-dipole entangling gates by orders of magnitude.

For sparse high-dimensional regression problems, Cox and Battey [1, 9] emphasised the need for confidence sets of models: an enumeration of those small sets of variables that fit the data equivalently well in a suitable statistical sense. This is to be contrasted with the single model returned by penalised regression procedures, effective for prediction but potentially misleading for subject-matter understanding. The proposed construction of such sets relied on preliminary reduction of the full set of variables, and while various possibilities could be considered for this, [9] proposed a succession of regression fits based on incomplete block designs. The purpose of the present paper is to provide insight on both aspects of that work. For an unspecified reduction strategy, we begin by characterising models that are likely to be retained in the model confidence set, emphasising geometric aspects. We then evaluate possible reduction schemes based on penalised regression or marginal screening, before theoretically elucidating the reduction of [9]. We identify features of the covariate matrix that may reduce its efficacy, and indicate improvements to the original proposal. An advantage of the approach is its ability to reveal its own stability or fragility for the data at hand.

We report on photoassociation spectroscopy probing the $c^3\Sigma_{1}^+$ potential of the bi-alkali NaCs molecule, identifying eleven vibrational lines between $v' = 0$ and $v' = 25$ of the excited $c^3\Sigma_{1}^+$ potential, and resolving their rotational and hyperfine structure. The observed lines are assigned by fitting to an effective Hamiltonian model of the excited state structure with rotational and hyperfine constants as free parameters. We discuss unexpected broadening of select vibrational lines, and its possible link to strong spin-orbit coupling of the $c^3\Sigma_{1}^+$ potential with the nearby $b^3\Pi_1$ and $B^1\Pi_1$ manifolds. Finally we report use of the $v' = 22$ line as an intermediate state for two-photon transfer of weakly bound Feshbach molecules to the rovibrational ground state of the $X^1\Sigma^+$ manifold.

Molecular hydrogen allows cooling in primordial gas, facilitating its collapse into Population III stars within primordial halos. Lyman-Werner (LW) radiation from these stars can escape the halo and delay further star formation by destroying H$_2$ in other halos. As cosmological simulations show that increasing the background LW field strength increases the average halo mass required for star formation, we perform follow-up simulations of selected halos to investigate the knock-on effects this has on the Population III IMF. We follow 5 halos for each of the $J_{21}$ = 0, 0.01 and 0.1 LW field strengths, resolving the pre-stellar core density of $10^{-6}$ g cm$^{-3}$ (10$^{18}$ cm$^{-3}$) before inserting sink particles and following the fragmentation behaviour for hundreds of years further. We find that the mass accreted onto sinks by the end of the simulations is proportional to the mass within the $\sim 10^{-2}$ pc molecular core, which is not correlated to the initial mass of the halo. As such, the IMFs for masses above the brown dwarf limit show little dependence on the LW strength, although they do show variance in the number of low-mass clumps formed. As the range of background LW field strengths tested here covers the most likely values from literature, we conclude that the IMF for so-called Pop III.2 stars is not significantly different from the initial population of Pop III.1 stars. The primordial IMF therefore likely remains unchanged until the formation of the next generation of Population II stars., Comment: MNRAS Accepted 2023 January 16 ref. MN-22-5075-MJ.R2

Density-functional theory may be used to predict both the frequency and the dipole moment of the fundamental oscillations of molecular crystals. Suitably polarized photons at those frequencies excite such oscillations. Thus, in principle, terahertz spectroscopy may confirm the calculated fundamental modes of amino acids. However, reports to date have multiple shortcomings: (a) material of uncertain purity and morphology and diluted in a binder material is employed; (b) consequently, vibrations along all crystal axes are excited simultaneously; (c) data is restricted to room temperature, where resonances are broad and the background dominant; (d) comparison with theory has been unsatisfactory (in part because the theory assumes zero temperature). Here, we overcome all four obstacles, in reporting detailed low-temperature polarized THz spectra of single-crystal L-alanine, assigning vibrational modes using density-functional theory, and comparing the calculated dipole moment vector direction to the electric field polarization of the measured spectra. Our direct and detailed comparison of theory with experiment corrects previous mode assignments for L-alanine, and reveals unreported modes, previously obscured by closely-spaced spectral absorptions. The fundamental modes are thereby determined., Comment: 4 Pages for the main manuscript and 2 page for references. 3 figures

Systems driven by Brownian motion are ubiquitous. A prevailing challenge is inferring, from data, the diffusion and kinetic parameters that describe these stochastic processes. In this work, we investigate a multi-state diffusion process that arises in the context of single particle tracking (SPT), wherein the motion of a particle is governed by a discrete set of diffusive states, and the tendency of the particle to switch between these states is modeled as a random process. We consider two models for this behavior: a mixture model and a hidden Markov model (HMM). For both, we adopt a Bayesian approach to sample the distributions of the underlying parameters and implement a Markov Chain Monte Carlo (MCMC) scheme to compute the posterior distributions, as in Das, Cairo, Coombs (2009). The primary contribution of this work is a study of the robustness of this method to infer parameters of a three-state HMM, and a discussion of the challenges and degeneracies that arise from considering three states. Finally, we investigate the problem of determining the number of diffusive states using model selection criteria. We present results from simulated data that demonstrate proof of concept, as well as apply our method to experimentally measured single molecule diffusion trajectories of monomeric phosphoinositide-dependent kinase-1 (PDK1) on a synthetic target membrane where it can associate with its binding partner protein kinase C alpha isoform (PKC$\alpha$) to form a heterodimer detected by its significantly lower diffusivity. All matlab software is available here: \url{https://github.com/MathBioCU/SingleMolecule}, Comment: 29 pages, 13 figures

We describe a quantum information architecture consisting of a hybrid array of optically-trapped molecules and atoms. This design leverages the large transition dipole moments of Rydberg atoms to mediate fast, high-fidelity gates between qubits encoded in coherent molecular degrees of freedom. Error channels of detuning, decay, pulse area noise, and leakage to other molecular states are discussed. The molecule-Rydberg interaction can also be used to enable nondestructive molecule detection and rotational state readout. We consider a specific near-term implementation of this scheme using NaCs molecules and Cs Rydberg atoms, showing that it is possible to implement 300~ns gates with a potential fidelity of $> 99.9\%$.

We present a robust technique for calculating regional volume changes within the lung from X-ray radiograph sequences captured during ventilation, without the use of computed tomography (CT). This technique is based on the change in transmitted X-ray intensity that occurs for each lung region as air displaces the attenuating lung tissue. Lung air volumes calculated from X-ray intensity changes showed a strong correlation ($R^2$=0.98) against the true volumes, measured from high-resolution CT. This correlation enables us to accurately convert projected intensity data into relative changes in lung air volume. We have applied this technique to measure changes in regional lung volumes from X-ray image sequences of mechanically ventilated, recently-deceased newborn rabbits, without the use of CT. This method is suitable for biomedical research studies and shows potential for clinical application., Comment: 12 Pages, 10 Figures

The Population III initial mass function (IMF) is currently unknown, but recent studies agree that fragmentation of primordial gas gives a broader IMF than the initially suggested singular star per halo. In this study we introduce sink particle mergers into Arepo, to perform the first resolution study for primordial star formation simulations and present the first Population III simulations to run up to densities of 10-6g cm-3 for hundreds of years after the formation of sink particles. The total number of sinks formed increases with increasing sink particle creation density, without achieving numerical convergence. The total mass in sinks remains invariant to the maximum resolution and is safe to estimate using low resolution studies. This results in an IMF that shifts towards lower masses with increasing resolution. Greater numbers of sinks cause increased fragmentation-induced starvation of the most massive sink, yielding lower accretion rates, masses and ionising photons emitted per second. The lack of convergence up to densities 2 orders of magnitudes higher than all relevant chemical reactions suggests that the number of sinks will continue to grow with increasing resolution until H2 is fully dissociated and the collapse becomes almost adiabatic at 10-4g cm-3. These results imply that many Population III studies utilising sink particles have produced IMFs which have overestimated the masses of primordial stars, and underestimated the number of stars formed. In the highest resolution runs, sinks with masses capable of surviving until the present day had an ejection fraction of 0.21., Comment: Accepted in MNRAS

Fully internal and motional state controlled and individually manipulable polar molecules are desirable for many quantum science applications leveraging the rich state space and intrinsic interactions of molecules. While prior efforts at assembling molecules from their constituent atoms individually trapped in optical tweezers achieved such a goal for exactly one molecule, here we extend the technique to an array of five molecules, unlocking the ability to study molecular interactions. We detail the technical challenges and solutions inherent in scaling this system up. With parallel preparation and control of multiple molecules in hand, this platform now serves as a starting point to harness the vast resources and long-range dipolar interactions of molecules.

Earth-observing satellite instruments obtain a massive number of observations every day. For example, tens of millions of sea surface temperature (SST) observations on a global scale are collected daily by the Moderate Resolution Imaging Spectroradiometer (MODIS) instrument. Despite their size, such datasets are incomplete and noisy, necessitating spatial statistical inference to obtain complete, high-resolution fields with quantified uncertainties. Such inference is challenging due to the high computational cost, the nonstationary behavior of environmental processes on a global scale, and land barriers affecting the dependence of SST. In this work, we develop a multi-resolution approximation (M-RA) of a Gaussian process (GP) whose nonstationary, global covariance function is obtained using local fits. The M-RA requires domain partitioning, which can be set up application-specifically. In the SST case, we partition the domain purposefully to account for and weaken dependence across land barriers. Our M-RA implementation is tailored to distributed-memory computation in high-performance-computing environments. We analyze a MODIS SST dataset consisting of more than 43 million observations, to our knowledge the largest dataset ever analyzed using a probabilistic GP model. We show that our nonstationary model based on local fits provides substantially improved predictive performance relative to a stationary approach.