MARCH 5, 2026 Journal Article Protonation Dynamics of Confined Ethanol–Water Mixtures in H-ZSM-5 from Machine Learning-Driven Metadynamics ( Read More )
MARCH 4, 2026 Journal Article Carboxylic Acid Induced Restructuring of the Fe3O4(001) Surface ( Read More )
FEBRUARY 2, 2026 Journal Article Preface to “Complexity at Catalytically Relevant Interfaces, Irsee X Symposium sponsored by the Robert Karl Grasselli Foundation, Kloster Irsee, Germany, 6–9 June 2024” ( Read More )
FEBRUARY 2, 2026 Report CAMEO: A Co-design Architecture for Multi-objective Energy System Optimization - Project Report ( Read More )
JANUARY 21, 2026 Journal Article Ru-catalyzed polyethylene hydrogenolysis under quasi-supercritical conditions ( Read More )
JANUARY 9, 2026 Journal Article Mechanistic Insights into Adsorptive and Catalytic Reactions from Controllable Distributions of Metal Cations (Pd, Pt, Ni, Cr, Cu) as [M-OH]+1/1Al or M+2/2Al in Zeolites ( Read More )
JANUARY 1, 2026 Report Sustainable Tire Production: Catalytic Upgrading of Ethanol into Butadiene (CRADA 636) Abstract ( Read More )
DECEMBER 30, 2025 Report Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )
DECEMBER 30, 2025 Journal Article An investigation of the physical and chemical changes of Pd nanoparticles on carbon supports in response to the release of hydrogen from aqueous formate solutions ( 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 Dual aging pathways of Cu-SSZ-13 SCR catalysts: Hydrothermal vs. sulfur-induced deactivation ( Read More )
DECEMBER 20, 2025 Journal Article Confinement-controlled selective CO2 insertion into a dicopper dihydride core: A multiscale mechanistic study ( 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 Detection of the BICT State in a Borafluorene with High Stokes Shift Fluorescence ( 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 )
NOVEMBER 26, 2025 Journal Article Facet-dependent heterogeneous Fenton reaction mechanisms on hematite nanoparticles for (photo)catalytic degradation of organic dyes ( Read More )
NOVEMBER 25, 2025 Journal Article Integrated low-temperature PVC and polyolefin upgrading ( Read More )
NOVEMBER 18, 2025 Journal Article Toward a Unified Kinetic Model of Nitrogenase Catalysis ( Read More )
NOVEMBER 18, 2025 Journal Article Active site evolution during formic acid conversion on Rh-substituted Fe3O4(001) ( 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 )