MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
MAY 2, 2024 Journal Article Reversing Inverse Hall-Petch and Direct Computation of Hall-Petch Coefficients ( Read More )
APRIL 30, 2024 Conference Paper Characterization of D-T Generator Neutron Flux Spectrum for Cyclic Neutron Activation Analysis Experiments ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )
APRIL 26, 2024 Journal Article Formation of large loop-hydrogen complexes and related effects on mechanical properties of Zirconium investigated with molecular dynamics method ( Read More )
APRIL 20, 2024 Conference Paper cuAlign: Scalable Network Alignment on GPU Accelerators ( Read More )
APRIL 20, 2024 Conference Paper Enabling Scalable VQE Simulation on Leading HPC Systems ( Read More )
APRIL 20, 2024 Journal Article G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions ( Read More )
APRIL 20, 2024 Journal Article Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory ( Read More )
APRIL 17, 2024 Journal Article Integrated quantum-classical protocol for the realistic description of solvated multinuclear mixed-valence transition-metal complexes and their solvatochromic properties ( Read More )
APRIL 16, 2024 Journal Article Nonvirialized Axion Search Sensitive to the Doppler Effects in the Milky Way Halo ( Read More )
APRIL 13, 2024 Journal Article Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry ( Read More )
APRIL 2, 2024 Journal Article Cyclotron Radiation Emission Spectroscopy of Electrons from Tritium Beta Decay and 83mKr Internal Conversion ( Read More )
MARCH 30, 2024 Journal Article An integrated online radioassay data storage and analytics tool for nEXO ( Read More )
MARCH 28, 2024 Journal Article In-field alpha spectrometry system for uranium enrichment verification of uranium hexafluoride ( Read More )
MARCH 26, 2024 Report Developing a Cyclotron Radiation Emission Spectroscopy Detection System ( Read More )
MARCH 15, 2024 Journal Article Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units ( Read More )