AUGUST 4, 2024 Journal Article Chloride and hydride transfer as keys to catalytic upcycling of polyethylene into liquid alkanes ( Read More )
AUGUST 2, 2024 Journal Article Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation ( Read More )
AUGUST 2, 2024 Journal Article Leveraging Curvature on N-Doped Carbon Materials for Hydrogen Storage ( Read More )
AUGUST 2, 2024 Journal Article Synergy of Oxygen Vacancies and Base Sites for Transfer Hydrogenation of Nitroarenes on Ceria Nanorods ( Read More )
AUGUST 1, 2024 Journal Article Accelerated screening of carbon dioxide capture by liquid sorbents ( Read More )
AUGUST 1, 2024 Journal Article Thermodynamic and Kinetic Activity Descriptors for the Catalytic Hydrogenation of Ketones ( Read More )
JULY 31, 2024 Journal Article Formation of (Rh-Fe)-FeOx Complex Sites Enables Methanol Synthesis from CO2 ( Read More )
JULY 31, 2024 Journal Article Additive Molar Volumes in Amorphous Ca/Sr Carbonate Solid Solutions ( Read More )
JULY 26, 2024 Journal Article Role of Surface Features on the Initial Dissolution of CH3NH3PbI3 Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study ( Read More )
JULY 26, 2024 Conference Paper Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design ( Read More )
JULY 26, 2024 Journal Article Mechanisms and site requirements for NO and NH3 oxidation on Cu/SSZ-13 ( Read More )
JULY 26, 2024 Journal Article Structural complexity of gamma-Al2O3: The nature of vacancy ordering and the structure of complex antiphase boundaries ( Read More )
JULY 26, 2024 Journal Article Co-existence of atomically dispersed Ru and Ce3+ sites is responsible for excellent low temperature N2O reduction activity of Ru/CeO2 ( Read More )
JULY 26, 2024 Journal Article Synthesis and Reactivity of Fe(II) Complexes Containing Cis Ammonia Ligands ( Read More )
JULY 26, 2024 Journal Article Tailoring olefin distribution via tuning rare earth metals in bifunctional Cu-RE/beta-zeolite catalysts for ethanol upgrading ( Read More )
MAY 16, 2024 Journal Article Metal-facilitated, sustainable nitroarene hydrogenation under ambient conditions ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )