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 )
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 17, 2024 Conference Paper Progress in the Verification and Validation Efforts for START: A Spent Fuel Routing Tool ( Read More )
APRIL 17, 2024 Conference Paper A Comparison of As-loaded Dose Calculations to Measured Dose Rates ( Read More )
APRIL 13, 2024 Journal Article Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry ( Read More )
APRIL 11, 2024 Conference Paper Informing and Engaging the Future Workforce on Generation IV International Forum Reactor Systems ( 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 )
FEBRUARY 22, 2024 Journal Article Erratum Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XHn (X = C, Si, Ge, Sn; n = 1–4) [J. Chem. Phys. 156, 244303 (2022)] ( Read More )
FEBRUARY 20, 2024 Journal Article Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model ( Read More )
FEBRUARY 17, 2024 Journal Article Influence of processing on secondary phase formation and microstructural evolution at U-10Mo alloy and Zr interlayer interfaces ( Read More )
FEBRUARY 15, 2024 Report Capability to Process and Characterize Uranium-Zirconium (U-Zr) and Uranium-Zirconium-Plutonium (U-Zr-Pu) Alloys ( Read More )
FEBRUARY 15, 2024 Journal Article Thermomechanical Properties of Neutron Irradiated Al3Hf-Al Thermal Neutron Absorber Materials ( Read More )
FEBRUARY 15, 2024 Journal Article Neptunium redox speciation and determination of its total concentration in dissolved fuel simulant solutions by spectrophotometry ( Read More )
FEBRUARY 15, 2024 Report Evaluation of Oxygen Consumption as a Sensitive Measure of Electrical Cable Polymer Insulation Degradation ( Read More )
FEBRUARY 15, 2024 Conference Paper A Robust Processing Approach for Producing Highly Loaded Dispersion Fuels ( Read More )
FEBRUARY 15, 2024 Conference Paper Forming Complex Nuclear Fuel Shapes in High-Loaded Silicide Surrogates ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )