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Creators/Authors contains: "Yao, Jia"

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  1. The Boltzmann transport equation (BTE) with electron-phonon (e-ph) interactions computed from first principles is widely used to study electronic transport and nonequilibrium dynamics in materials. Calculating the e-ph collision integral is the most important step in the BTE, but it remains computationally costly, even with current MPI+OpenMP parallelization. This challenge makes it difficult to study materials with large unit cells and to achieve high resolution in momentum space. Here, we show acceleration of BTE calculations of electronic transport and ultrafast dynamics using graphical processing units (GPUs). We implement a novel data structure and algorithm, optimized for GPU hardware and developed using OpenACC, to process scattering channels and efficiently compute the collision integral. This approach significantly reduces the overhead for data referencing, movement, and synchronization. Relative to the efficient CPU implementation in the open-source package Perturbo (v2.2.0), used as a baseline, this approach achieves a speed-up of 40 times for both transport and nonequilibrium dynamics on GPU hardware, and achieves nearly linear scaling up to 100 GPUs. The novel data structure can be generalized to other electron interactions and scattering processes. We released this GPU implementation in the latest public version (v3.0.0) of Perturbo. The new MPI+OpenMP+GPU parallelization enables sweeping studies of e-ph physics and electron dynamics in conventional and quantum materials, and prepares Perturbo for exascale supercomputing platforms. 
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    Free, publicly-accessible full text available November 5, 2026
  2. Abstract Based on a template-matching method, we estimate the barium (Ba) abundances for stellar spectra from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) Medium-Resolution Spectroscopic Survey (MRS). The Ba abundances of 198,011 stars have been determined from MRS spectra with signal-to-noise ratios (S/N) > 40 combined with the stellar atmospheric parameters from the LAMOST Low-Resolution Spectroscopic Survey DR9 by the LAMOST Stellar Parameter Pipeline. The uncertainties in the Ba abundances from the LAMOST MRS spectra are less than 0.3 dex when S/N exceeds 40, which align closely with the results based on the high-resolution UVES spectra from the Gaia-ESO survey obtained by spectral synthesis. Further analysis of Ba abundances from repeated observations of the same stars reveals that random errors related to spectral quality remain below 0.3 dex at the same S/N, with a systematic overestimation for the low-S/N spectra. This extensive sample of stellar Ba abundances will enhance studies of thes-,i-, andr-processes, and deepen our understanding of the chemical-evolution history of the Milky Way. 
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    Free, publicly-accessible full text available May 1, 2026
  3. Abstract R-process-enhanced (RPE) stars are rare and typically metal-poor ([Fe/H]  < −1.0), primarily found in the Milky Way halo system and dwarf galaxies. This study reports the discovery of two relatively bright, highly RPE stars ([Eu/Fe]  >  +0.70) located in the Milky Way disk, with [Fe/H] of −0.34 and −0.80, respectively. These two stars are selected from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope medium-resolution (R ∼ 7500) spectroscopic survey. Follow-up high-resolution (R ∼ 25,000) observations were conducted with the High Optical Resolution Spectrograph installed on the 10.4 m Gran Telescopio Canarias. We perform the determination of elemental abundances and calculate the orbital parameters. We find that they arer-II stars with elemental abundances in agreement with the solarr-process pattern. These two objects are chemically and dynamically consistent with membership in the Galactic disk and exhibit no evidence of being part of accreted systems. 
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    Free, publicly-accessible full text available May 8, 2026
  4. Abstract Highlyr-process-enhanced (RPE) stars are rare and usually metal poor ([Fe/H] < −1.0), and they mainly populate the Milky Way halo and dwarf galaxies. This study presents the discovery of a relatively bright (V= 12.72), highly RPE (r-II) star ([Eu/Fe] = +1.32, [Ba/Eu] = −0.95), LAMOST J020623.21+494127.9. This star was selected from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope medium-resolution (R∼ 7500) spectroscopic survey; follow-up high-resolution (R∼ 25,000) observations were conducted with the High Optical Resolution Spectrograph installed on the Gran Telescopio Canarias. The stellar parameters (Teff= 4130 K, log g = 1.52, [Fe/H] = −0.54,ξ= 1.80 km s−1) have been inferred taking into account nonlocal thermodynamic equilibrium effects. The abundances of [Ce/Fe], [Pr/Fe], and [Nd/Fe] are +0.19, +0.65, and +0.64, respectively, relatively low compared to the Solarr-process pattern normalized to Eu. This star has a high metallicity ([Fe/H] = −0.54) compared to most other highly RPE stars and has the highest measured abundance ratio of Eu to H ([Eu/H] = +0.78). It is classified as a thin-disk star based on its kinematics and does not appear to belong to any known stream or dwarf galaxy. 
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  5. Abstract Electrically driven light‐emitting diodes (ED LEDs) based on 3D metal halide perovskites have seen remarkable advancements during the past decade. However, the highest‐performing devices are largely based on lead‐containing 3D perovskites, presenting two key challenges – toxicity and stability – that must be addressed for commercialization. Reducing structural dimensionality and incorporating non‐lead metals present promising pathways to address these issues. Although research on ED LEDs based on low‐dimensional, lead‐free metal halides (LD LFMHs) is growing, their performance still significantly lags behind that of 3D lead halide perovskites. This review seeks to deliver a comprehensive overview of ED LEDs based on LD LFMHs, covering a brief history of their development, methods for material synthesis, luminescence mechanisms, and applications in electroluminescent devices. It also examines current challenges and proposes practical strategies to enhance device performance, with the goal of inspiring further progress in the field. 
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    Free, publicly-accessible full text available February 3, 2026
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    Abstract Background Genome structural variations (SVs) have been associated with key traits in a wide range of agronomically important species; however, SV profiles of peach and their functional impacts remain largely unexplored. Results Here, we present an integrated map of 202,273 SVs from 336 peach genomes. A substantial number of SVs have been selected during peach domestication and improvement, which together affect 2268 genes. Genome-wide association studies of 26 agronomic traits using these SVs identify a number of candidate causal variants. A 9-bp insertion in Prupe.4G186800 , which encodes a NAC transcription factor, is shown to be associated with early fruit maturity, and a 487-bp deletion in the promoter of PpMYB10.1 is associated with flesh color around the stone. In addition, a 1.67 Mb inversion is highly associated with fruit shape, and a gene adjacent to the inversion breakpoint, PpOFP1 , regulates flat shape formation. Conclusions The integrated peach SV map and the identified candidate genes and variants represent valuable resources for future genomic research and breeding in peach. 
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