OCTOBER 2, 2025 Journal Article Extending Badger’s Rule. I. The Relationship between Energy and Structure in Hydrogen Bonds ( Read More )
OCTOBER 2, 2025 Journal Article Projector-Based Quantum Embedding Study of Iron Complexes ( Read More )
SEPTEMBER 10, 2025 Journal Article An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications ( Read More )
SEPTEMBER 5, 2025 Journal Article Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights ( Read More )
SEPTEMBER 5, 2025 Journal Article ScaWL: Scaling k-WL (Weisfeiler-Lehman) Algorithms in Memory and Performance on Shared and Distributed-Memory Systems ( Read More )
SEPTEMBER 4, 2025 Conference Paper A Synthesis Methodology for Intelligent Memory Interfaces in Accelerator Systems ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
AUGUST 26, 2025 Journal Article Decomposing a Compound Flood Event in an Urban Pacific Northwest Estuary: Primary Drivers and Projections for the Future ( Read More )
AUGUST 22, 2025 Conference Paper ChemComp: Compiling and Computing with Chemical Reaction Networks ( Read More )
AUGUST 20, 2025 Conference Paper HEC: Equivalence Verification Checking for Code Transformation via Equality Saturation ( Read More )
AUGUST 14, 2025 Conference Paper Scaling Laws for the Workload Throughput of Emerging Heterogeneous Clusters ( Read More )
AUGUST 14, 2025 Journal Article Trigonal Planar Bis(carbene)Cu(I) Complexes Enable Divergent H2 Activation with H2O for Accelerated Olefin Hydrogenation ( Read More )
AUGUST 13, 2025 Journal Article An Interactive Spectral Analysis Tool for Chemical Identification and Quantification of Gas-Phase Species in Complex Spectra ( Read More )
AUGUST 13, 2025 Conference Paper GMI-DRL: Empowering Multi-GPU DRL with Adaptive-Grained Parallelism ( Read More )
AUGUST 13, 2025 Journal Article COLUMBUS - An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics ( Read More )
AUGUST 8, 2025 Conference Paper Online Learning for Dynamic Structural Characterization in Electron Energy Loss Spectroscopy ( Read More )
AUGUST 7, 2025 Journal Article Deep Quantum Circuit Simulations of Low-energy Nuclear States ( Read More )
AUGUST 1, 2025 Conference Paper GreedyML: A parallel algorithm for maximizing constrained submodular functions ( Read More )
AUGUST 1, 2025 Conference Paper Understanding and predicting cross-application I/O interference in HPC storage systems ( Read More )