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 )
AUGUST 1, 2024 Conference Paper AXI4MLIR: User-Driven Automatic Host Code Generation for Custom AXI-Based Accelerators ( Read More )
JULY 31, 2024 Journal Article Additive Molar Volumes in Amorphous Ca/Sr Carbonate Solid Solutions ( Read More )
JULY 26, 2024 Conference Paper QuComm: Optimizing Collective Communication for Distributed Quantum Computing ( Read More )
JULY 26, 2024 Conference Paper VISILIENCE: An Interactive Visualization Framework for Resilience Analysis using Control-Flow Graph ( Read More )
JULY 26, 2024 Conference Paper Automatic Code Generation for High-Performance Graph Algorithms ( Read More )
JULY 26, 2024 Conference Paper HetArch: Heterogeneous Microarchitectures for Superconducting Quantum Systems ( 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 )
JULY 26, 2024 Conference Paper Finding Your Niche: An Evolutionary Approach to HPC Topologies ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )
APRIL 23, 2024 Conference Paper A Reference Implementation for a Quantum Message Passing Interface ( Read More )
APRIL 20, 2024 Conference Paper cuAlign: Scalable Network Alignment on GPU Accelerators ( Read More )
APRIL 20, 2024 Journal Article G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions ( Read More )
APRIL 20, 2024 Conference Paper Enabling Scalable VQE Simulation on Leading HPC Systems ( Read More )
APRIL 20, 2024 Journal Article Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory ( Read More )