MAY 1, 2025 Journal Article Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes ( Read More )
MAY 1, 2025 Conference Paper A Performance and Energy Study of GPU-Resident Preconditioners for Conjugate Gradient Solvers: In the Context of Existing and Novel Approaches ( Read More )
APRIL 26, 2025 Conference Paper Shifting Between Compute and Memory Bounds: A Compression-Enabled Roofline Model ( Read More )
APRIL 26, 2025 Journal Article Anion-Cation-Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy ( Read More )
APRIL 26, 2025 Conference Paper Distributed Order Recording Techniques for Efficient Record-and-Replay of Multi-threaded Programs ( Read More )
APRIL 25, 2025 Conference Paper DaYu: Optimizing Distributed Scientific Workflows by Decoding Dataflow Semantics and Dynamics ( 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 A spatially-resolved model of neutron-irradiated Tungsten coupling Stochastic Cluster Dynamics and Finite Deformation Plasticity ( 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 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 Conference Paper Accelerating GNNs on GPU Sparse Tensor Cores through N:M Sparsity-Oriented Graph Reordering ( Read More )
APRIL 4, 2025 Conference Paper ATTNChecker: Highly-Optimized Fault Tolerant Attention for Large Language Model Training ( Read More )
APRIL 3, 2025 Conference Paper ChemComp: A Compilation Framework for Computing with Chemical Reaction Networks ( Read More )
APRIL 3, 2025 Journal Article The many-body expansion for aqueous systems revisited: IV. Stabilization of halide-anion pairs in small water clusters ( Read More )
MARCH 28, 2025 Conference Paper FTTN: Feature-Targeted Testing for Numerical Properties of NVIDIA & AMD Matrix Accelerators ( Read More )
MARCH 28, 2025 Journal Article Polaritonic Chemistry using the Density Matrix Renormalization Group Method ( Read More )