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 the Behavior of Concentrated Aqueous HNO3 Using Machine Learning Interatomic Potentials ( 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 )
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 Report A spline-based method to obtain spatially dependent viscosity in confined flows ( 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 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 Report REBOUND: Reverse Engineering Bidirectional Outflow Under Non-Equilibrium Diffusion ( Read More )
DECEMBER 12, 2025 Journal Article Tracing long-lived atomic coherences generated via molecular conical intersections ( 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 15, 2025 Report Efficient and Selective Chemical Transformations in Highly Charged and Confined Nanodroplets ( Read More )
NOVEMBER 13, 2025 Report Adaptive Control for Large-Scale Collection of Isotope-Influenced NMR Dynamical Signatures ( Read More )
NOVEMBER 13, 2025 Journal Article Incorporating the molecular-scale into a Hydrodynamic Description of Confined Aqueous Systems ( Read More )
OCTOBER 21, 2025 Journal Article A Thorough Characterization of the Tellurocyanate Anion ( Read More )
SEPTEMBER 5, 2025 Journal Article In Situ Atmospheric Plume Thermometry via Carbon Monoxide Spectral Profile: Laboratory and Field Validation ( Read More )
SEPTEMBER 4, 2025 Journal Article Excitation laser energy dependence of the gap-mode TERS spectra of WS2 and MoS2 on silver ( Read More )
AUGUST 29, 2025 Journal Article Mediation of Colloidal Encounter Dynamics by Surface Roughness ( Read More )
AUGUST 29, 2025 Journal Article Imaging Domain Walls in van der Waals Ferroelectrics Using Tip-enhanced Second Harmonic Generation ( Read More )
AUGUST 29, 2025 Journal Article A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing ( Read More )