DECEMBER 30, 2025 Report Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )
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 Defect Structure in Quantum-Cutting Yb3+-Doped CsPbCl3 Perovskites Probed by X-Ray Absorption and Atomic Pair Distribution Function Analysis ( Read More )
DECEMBER 17, 2025 Journal Article Detection of the BICT State in a Borafluorene with High Stokes Shift Fluorescence ( 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 17, 2025 Journal Article Cations Enhance Hydride Transfer to Noncatalytic Metals in Concentrated Alkaline Electrolytes ( Read More )
DECEMBER 13, 2025 Journal Article Nitrogen Limitation Causes a Seismic Shift in Redox States and Phosphorylation of Proteins Implicated in Carbon Flux and Lipidome Remodeling for Rhodotorula toruloides ( 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 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 6, 2025 Journal Article The Incongruity of Validating Quantitative Proteomics using Western Blots ( Read More )
DECEMBER 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( Read More )
DECEMBER 6, 2025 Journal Article The Properties That Allow Tuning the Reduction Potentials over a Volt Range in Biological Iron/Sulfur Clusters ( Read More )
DECEMBER 6, 2025 Journal Article Molecular insights into Yb(III) speciation in sulfate-bearing hydrothermal fluids from X-ray absorption spectra informed by ab initio molecular dynamics ( Read More )
DECEMBER 6, 2025 Journal Article The composition of gases from a diffusion flame above longleaf pine needle fuel beds ( Read More )
NOVEMBER 27, 2025 Journal Article Tracing priming effects in palsa peat carbon dynamics using a stable isotope-assisted metabolomics approach ( Read More )
NOVEMBER 26, 2025 Journal Article Facet-dependent heterogeneous Fenton reaction mechanisms on hematite nanoparticles for (photo)catalytic degradation of organic dyes ( Read More )