Research
Research
Research
Research
28,154+ open-access research outputs.
The growing demand for solving large-scale, data-intensive linear and conic optimization problems, particularly in applications such as artificial intelligence and machine learning, has highlighted th…
Engineering electron correlations in quantum dot arrays demands navigation of high-dimensional, non-convex parameter spaces where hole doping fundamentally alters the physics. We present a comparative…
As a core technology for green chemical synthesis and electrochemical energy storage, electrocatalysis is central to decarbonization strategies aimed at combating climate change. In this context, comp…
We present a novel graph-based machine learning classifier for identifying the dark matter cosmic web environments of galaxies. Large galaxy surveys offer comprehensive statistical views of how galaxy…
In the era of large-scale surveys like Euclid, machine learning has become an essential tool for identifying rare yet scientifically valuable objects, such as strong gravitational lenses. However, sup…
Predicting the glass-forming ability (GFA) of chemical compositions remains a fundamental challenge in materials science, especially for oxide glasses with broad compositional diversity. Traditional e…
Molecular dynamics (MD) simulations have become indispensable for exploring tribological deformation patterns at the atomic scale. However, transforming the resulting high-dimensional data into interp…
Between the estimated population of Neutron Stars (NSs) and the actual number present in the catalogs, there is a huge gap: O(10$^{8-9}$) vs O(10$^3$). Among the different search techniques for Contin…
Global analyses of particle physics data are integral for validating and scrutinizing published results of experiments. Global fits of anomalous oscillation data which search for one or more eV-scale …
The combination of the variational Monte Carlo (VMC) method with deep learning wave function architectures has led to several successes in ground-state calculations of quantum many-body systems in rec…
Accurate and efficient simulation of fluid-structure interaction (FSI) problems remains a central challenge in computational physics. High-order discontinuous Galerkin (DG) methods offer low numerical…
Developing high throughput applications of sonochemistry and sonoprocessing is an outstanding ultrasonic engineering challenge that continues to limit widespread industrial adoption. Conventional mass…
Solar flares and coronal mass ejections, originating from solar active regions (ARs), are the primary drivers of space weather and can disrupt technological systems. Forecasting efforts heavily rely o…
Understanding the behavior of light interstitial elements in multicomponent alloys remains challenging due to the complexity of local chemical environments and the high computational cost of first-pri…
A central open problem in nuclear physics is the determination of a physically robust equation of state (EoS) for dense nuclear matter, which directly informs our understanding of the internal composi…
Traditionally, strong quantum anharmonic effects have been considered a characteristic of hydrogen-rich compounds. Here we propose that these effects also play a decisive role in boron-carbon clathrat…
The dynamic reconstruction of surfaces during electrochemical reactions plays a crucial role in determining the performance of electrocatalysts. However, because reconstructions occur at the atomic le…
Foundation machine learning interatomic potentials (MLIPs) are trained on overlapping chemical spaces, yet their latent representations remain model-specific. Here, we show that independently develope…
Digital assays represent a shift from traditional diagnostics and enable the precise detection of low-abundance analytes, critical for early disease diagnosis and personalized medicine, through discre…
Supported nanoparticle catalysts are widely used in the chemical industry. Computational modeling of supported nanoparticles based on density functional theory (DFT) often involves structural searches…
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