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 Collision integrals within the Chapman-Enskog theory for a generalized Lennard-Jones potential ( Read More )
MAY 13, 2025 Conference Paper Improving Property Graph Layouts by Leveraging Attribute Similarity for Structurally Equivalent Nodes ( Read More )
MAY 9, 2025 Journal Article Artificial Judgement Assistance from teXt (AJAX): Applying Open Domain Question Answering to Nuclear Non-proliferation Analysis ( Read More )
MAY 9, 2025 Journal Article Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering ( Read More )
MAY 6, 2025 Journal Article A coarse-grained model of clay colloidal aggregation and consolidation with explicit representation of the electrical double layer ( Read More )