MAY 2, 2025 Journal Article Toward a Machine Learning Approach to Interpreting X-ray Spectra of Trace Impurities by Converting XANES to EXAFS ( Read More )
MAY 2, 2025 Journal Article An Intercomparison of Wall Fluxes in a Turbulent Thermal Convection Chamber: Direct Numerical Simulations and Wall-Modeled Large-Eddy Simulations Enhanced by Machine Learning ( Read More )
MAY 2, 2025 Conference Paper Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays ( Read More )
MAY 2, 2025 Journal Article Shake Loss Intensities in X-ray Photoelectron Spectroscopy: Theory, Experiment, and Atomic Composition Accuracy for MgO and Related Compounds ( Read More )
MAY 1, 2025 Journal Article Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes ( Read More )
APRIL 26, 2025 Journal Article Anion-Cation-Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy ( Read More )
APRIL 25, 2025 Journal Article Formation, Chemical Evolution, and Solidification of the Dense Liquid Phase of Calcium (Bi)carbonate ( Read More )
APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 23, 2025 Journal Article Exploring Direct Photodetachment and Photodissociation- Photodetachment Dynamics of Platinum Iodide Anions (PtIn¯, n=2-5) Using Cryogenic Photoelectron Spectroscopy ( Read More )
APRIL 18, 2025 Journal Article Theoretical prediction of materials with diffuse electrons with possible applications in redox catalysis and quantum computing ( Read More )
APRIL 11, 2025 Journal Article NeuroSEM: A hybrid framework for simulating multiphysics problems by coupling PINNs and spectral elements ( Read More )
APRIL 10, 2025 Journal Article Elucidation of a Metastable p(2×1) O Atom Adlayer Structure on Cu(111) ( Read More )
APRIL 8, 2025 Journal Article Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2–,3–,4–, [Fe2S2(SCys)4]2–, [Fe2S2(S-p-tol)4]2–, and [Fe2S2(S-o-xyl)4]2– Complexes ( Read More )
APRIL 4, 2025 Journal Article Meeting Global Health Needs via Infectious Disease Forecasting: Development of a Reliable Data-Driven Framework ( Read More )
APRIL 4, 2025 Conference Paper Isolating Signatures of Cyberattacks under Stressed Grid Conditions ( Read More )
APRIL 4, 2025 Conference Paper Accelerating GNNs on GPU Sparse Tensor Cores through N:M Sparsity-Oriented Graph Reordering ( Read More )
APRIL 3, 2025 Conference Paper Unlocking Scholarly Insights: Leveraging Machine Learning Approaches for Citation Analysis and Intent Classification ( Read More )
APRIL 3, 2025 Book Chapter Physics-informed Deep Reinforcement Learning-based Control in Power systems ( Read More )