SEPTEMBER 30, 2026 Journal Article H2X100: A Gold-Standard CCSD(T)/CBS Benchmark Dataset of Binding Energies, Structures, and Harmonic Frequencies for (H2X)n, X = S, Se, Te, n = 2 – 4, and Assessment of Lower-Scaling Density Functional Theory Methods ( Read More )
SEPTEMBER 30, 2026 Journal Article Reaction Kinetics and Transformation of Macromolecules during Wet Air Oxidation of Aqueous Products from Sewage Sludge Hydrothermal Liquefaction ( Read More )
SEPTEMBER 30, 2026 Report Vitrification of Hanford Tank 241-AW-106 Waste and Equivalent Simulant ( Read More )
SEPTEMBER 22, 2026 Report CO2-Responsive Fracturing Fluids for Enhanced Geothermal Systems-Final Report ( Read More )
SEPTEMBER 22, 2026 Journal Article Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade ( Read More )
SEPTEMBER 22, 2026 Journal Article Impact of Crystalline Phases on Low-Activity Waste Glass Durability: Insights from PCT and VHT ( Read More )
SEPTEMBER 22, 2026 Journal Article Boron Coordination in Multicomponent Glasses: Analytical Models and Machine Learning With Uncertainty ( Read More )
SEPTEMBER 22, 2026 Journal Article Fingerprinting Uranium Oxides with Electron Energy Loss Spectroscopy Supported by Theoretical Computations ( Read More )
SEPTEMBER 22, 2026 Journal Article Fermionic mean-field dynamics for spin systems beyond free fermions ( Read More )
SEPTEMBER 22, 2026 Journal Article A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen Bonding ( Read More )
SEPTEMBER 22, 2026 Report Thermodynamics of Tritium Trapping by Point Defects at Interfacial Cr-based Phases of the Al Coating ( Read More )
SEPTEMBER 22, 2026 Journal Article MixPI: Mixed-Time Slicing Path Integral Software for Quantized Molecular Dynamics Simulations ( Read More )
SEPTEMBER 22, 2026 Report Automated Particle Analysis of Hanford Tank Wastes 241-AN-106, 241-AN-101, and 241-AW-105 ( Read More )
SEPTEMBER 22, 2026 Journal Article A Kinetic Model of the Long-Term Corrosion of Glass-Ceramic Materials ( Read More )
SEPTEMBER 22, 2026 Journal Article Heat Transfer in Nuclear Waste Glasses: Measurements and Modeling of Thermal Radiation Properties ( Read More )
SEPTEMBER 22, 2026 Journal Article Low Activity Waste Glass Optimization with Property Models from Machine Learning, Part 2: Experimental Validation and Active Learning ( Read More )
SEPTEMBER 22, 2026 Journal Article Hanford Tank Waste Matrix Impact on Ion Exchange Performance Using Crystalline Silicotitanate ( Read More )
SEPTEMBER 22, 2026 Journal Article United States Nuclear Power Reactor Used Nuclear Fuel Database and Applications ( Read More )
SEPTEMBER 22, 2026 Journal Article Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism ( Read More )