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 )
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JANUARY 20, 2026 Journal Article Reorganization of Water at Aqueous Aluminum Chloride (AlCl3) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamics Simulations ( Read More )
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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 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 )
DECEMBER 11, 2025 Journal Article Greenhouse gas emissions reduction strategies that maximize portfolio-wide life cycle cost reduction, resilience, and environmental justice benefits ( Read More )
DECEMBER 10, 2025 Report Connectivity Troubleshooting Guide for Advanced Electricity Meters ( Read More )
NOVEMBER 27, 2025 Report Life-Cycle Cost Analysis Framework for Water Efficiency Measures ( Read More )
NOVEMBER 27, 2025 Report Recovery Simulator and Analysis Formulation: Mathematical Framework for Enhanced Resilience and Resource Allocation ( Read More )
NOVEMBER 22, 2025 Journal Article Temperature Dependence of 239Pu NMR Parameters in PuO2 ( 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 Trends and Effects of Changes in Business Cases for Petroleum Refineries ( Read More )
NOVEMBER 13, 2025 Report Summary of Pilot Project State Technical Assistance on Multi-Sector Analysis for Electric and Petroleum Fuels ( Read More )