OCTOBER 17, 2024 Conference Paper AGS-GNN: Attribute-guided Sampling for Graph Neural Networks ( Read More )
SEPTEMBER 27, 2024 Journal Article Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4- Dinitroanisole (DNAN) ( Read More )
SEPTEMBER 19, 2024 Journal Article Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities ( Read More )
SEPTEMBER 19, 2024 Journal Article QC-GN2oMS2: a Graph Neural Net for High Resolution Mass Spectra Prediction ( Read More )
SEPTEMBER 19, 2024 Conference Paper Fast Parallel Tensor Times Same Vector for Hypergraphs ( Read More )
AUGUST 7, 2024 Conference Paper Red-QAOA: Efficient Variational Optimization through Circuit Reduction ( Read More )
AUGUST 6, 2024 Conference Paper Picasso: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing ( Read More )
AUGUST 6, 2024 Conference Paper DS-GL: Advancing Graph Learning via Harnessing the Power of Nature within Dynamic Systems ( Read More )
AUGUST 6, 2024 Conference Paper Evaluating Emerging AI/ML Accelerators: IPU, RDU, and and NVIDIA/AMD GPUs ( Read More )
AUGUST 6, 2024 Conference Paper FuseIM: Fusing Probabilistic Traversals for Influence Maximization on Exascale Systems ( Read More )
AUGUST 2, 2024 Journal Article Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation ( Read More )
AUGUST 2, 2024 Journal Article Leveraging Curvature on N-Doped Carbon Materials for Hydrogen Storage ( Read More )
JULY 31, 2024 Journal Article Additive Molar Volumes in Amorphous Ca/Sr Carbonate Solid Solutions ( Read More )
JULY 26, 2024 Journal Article Role of Surface Features on the Initial Dissolution of CH3NH3PbI3 Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )