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 Modeling the Behavior of Concentrated Aqueous HNO3 Using Machine Learning Interatomic Potentials ( Read More )
FEBRUARY 2, 2026 Report CAMEO: A Co-design Architecture for Multi-objective Energy System Optimization - Project Report ( 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 Conference Paper Demystifying the Resilience of Large Language Models: An End-to-End Perspective ( 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 30, 2025 Report Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )
DECEMBER 18, 2025 Journal Article Evaluating post-fire watershed response to varying burn severity and precipitation regimes using fully-distributed and integrated hydrologic models ( 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 4, 2025 Journal Article Tethys: A Spatiotemporal Downscaling Model for Global Water Demand ( Read More )
NOVEMBER 22, 2025 Journal Article Temperature Dependence of 239Pu NMR Parameters in PuO2 ( Read More )
NOVEMBER 15, 2025 Report Control Oriented Models for Co-Design: Technical Overview of MT HVDC, MVDC, and Solid State Transformer Building Blocks ( 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 )