FEBRUARY 5, 2026 Journal Article Quantum electrodynamics coupled-cluster at scale: High-performance implementation for complex systems ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory ( Read More )
FEBRUARY 2, 2026 Journal Article Intermetallic Phase Formation in Al-Si-Zr Alloys During Hot Isostatic Pressing Revealed by Experiments and Molecular Dynamics ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling the Behavior of Concentrated Aqueous HNO3 Using Machine Learning Interatomic Potentials ( Read More )
JANUARY 20, 2026 Journal Article Reorganization of Water at Aqueous Aluminum Chloride (AlCl3) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamics Simulations ( Read More )
DECEMBER 30, 2025 Journal Article Investigation of the Iodate Sorption Mechanism by CoAl LDH through Experiments and Ab Initio Molecular Dynamics Simulations ( Read More )
DECEMBER 30, 2025 Report A spline-based method to obtain spatially dependent viscosity in confined flows ( Read More )
DECEMBER 20, 2025 Report Plan for the Development and Application of a Risk Assessment Approach for Transportation Package Approval of a Transportable Nuclear Power Plant for Maritime Shipment ( Read More )
DECEMBER 17, 2025 Journal Article A meta-generalized gradient approximation for the cavity-dependent exchange-correlation interaction in strongly coupled light-matter systems ( Read More )
DECEMBER 12, 2025 Journal Article Tracing long-lived atomic coherences generated via molecular conical intersections ( Read More )
DECEMBER 12, 2025 Report REBOUND: Reverse Engineering Bidirectional Outflow Under Non-Equilibrium Diffusion ( Read More )
DECEMBER 11, 2025 Journal Article Photodetachment Dynamics and Structural Flexibility of Undercoordinated Iridium Halides IrCln– (n = 3-5): An Experimental and Theoretical Investigation ( Read More )
NOVEMBER 22, 2025 Journal Article Temperature Dependence of 239Pu NMR Parameters in PuO2 ( Read More )
NOVEMBER 22, 2025 Journal Article Influence of AA6061 surface preparation on the resistance to surface degradation of thermally grown boehmite films ( Read More )
NOVEMBER 20, 2025 Report Nuclear Power Plant Infrastructure Evaluations for Removal of Spent Nuclear Fuel ( Read More )
NOVEMBER 20, 2025 Report Sensor Development for Liquid Water Detection in Dry Storage Casks: FY 2023 Status ( Read More )
NOVEMBER 15, 2025 Report Characterizing Clallam Bay for Wave Energy Device Testing: Spatial Velocity Survey, May 2025 ( Read More )
NOVEMBER 15, 2025 Report Efficient and Selective Chemical Transformations in Highly Charged and Confined Nanodroplets ( Read More )
NOVEMBER 13, 2025 Journal Article Incorporating the molecular-scale into a Hydrodynamic Description of Confined Aqueous Systems ( Read More )
NOVEMBER 13, 2025 Report Adaptive Control for Large-Scale Collection of Isotope-Influenced NMR Dynamical Signatures ( Read More )