DECEMBER 20, 2025 Journal Article A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits ( Read More )
DECEMBER 20, 2025 Journal Article Confinement-controlled selective CO2 insertion into a dicopper dihydride core: A multiscale mechanistic study ( 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 13, 2025 Report Tritium Trapping Thermodynamics by Point Defects at Interfacial Fe-Al Phases of the Aluminide Coating ( 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 )
DECEMBER 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( 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 )
NOVEMBER 12, 2025 Journal Article Unravelling the dynamics of the maturation protein in MS2 bacteriophage via molecular simulations ( Read More )
OCTOBER 21, 2025 Journal Article A Thorough Characterization of the Tellurocyanate Anion ( Read More )
OCTOBER 11, 2025 Report Vibrational Signatures of S Vacancies in monolayer tungsten disulfide ( Read More )
OCTOBER 2, 2025 Journal Article Extending Badger’s Rule. I. The Relationship between Energy and Structure in Hydrogen Bonds ( Read More )
OCTOBER 2, 2025 Journal Article Projector-Based Quantum Embedding Study of Iron Complexes ( Read More )
SEPTEMBER 5, 2025 Journal Article Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights ( Read More )
SEPTEMBER 5, 2025 Journal Article In Situ Atmospheric Plume Thermometry via Carbon Monoxide Spectral Profile: Laboratory and Field Validation ( Read More )