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 5, 2025 Journal Article Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
AUGUST 14, 2025 Journal Article Improving Adhesive Bonding of Short Carbon Fiber Thermoplastic Composites to Aluminum Alloys with a Hybrid Laser-plasma Surface Modification Strategy ( 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 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 1, 2025 Conference Paper GreedyML: A parallel algorithm for maximizing constrained submodular functions ( Read More )
JULY 24, 2025 Journal Article First principles study of molecular hydrogen activation by defects in boron nitride ( Read More )
JULY 2, 2025 Conference Paper DS-TPU: Dynamical System for on-Device Lifelong Graph Learning with Nonlinear Node Interaction ( Read More )
JUNE 27, 2025 Journal Article Antiviral discovery using sparse datasets by integrating experiments, molecular simulations, and machine learning ( Read More )
JUNE 19, 2025 Journal Article Exploring the Nexus of Many-Body Theories through Neural Network Techniques: the Tangent Model ( Read More )
MAY 23, 2025 Journal Article Graph Characterization of Higher-Order Structure in Atmospheric Chemical Reaction Mechanisms ( Read More )
MAY 15, 2025 Conference Paper Retrieving Top-k Hyperedge Triplets: Models and Applications ( Read More )
MAY 15, 2025 Conference Paper GraphAide: Advanced Graph-Assisted Query and Reasoning System ( Read More )
MAY 15, 2025 Conference Paper Contradictory Ambiguous Revocable Assertion Tracker (CARAT) Encoding ( Read More )
MAY 13, 2025 Journal Article GALIC: Hybrid Multi-Qubitwise Pauli Grouping for Quantum Computing Measurement ( Read More )
MAY 13, 2025 Journal Article GreediRIS: Scalable Influence Maximization using Distributed Streaming Maximum Cover ( Read More )
MAY 13, 2025 Journal Article Multiple-Repeated Plasma Surface Treatments for Significantly Improving Bonding Performance of Metal-Carbon-Fiber-Reinforced Thermoplastic Polymer Dissimilar Adhesive Joints ( Read More )