FEBRUARY 15, 2024 Journal Article Mechanistic Insight into Low Temperature SCR by Ceria-Manganese Mixed Oxides Incorporated into Zeolites ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Water-Anatase TiO2(101) Interface Structure Using Infrared Signatures and Molecular Dynamics ( Read More )
FEBRUARY 15, 2024 Journal Article Revealing Excited State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time ( Read More )
FEBRUARY 15, 2024 Journal Article Refined views of ancient ocean chemistry: Tracking trace element incorporation in pyrite framboids using atom probe tomography ( Read More )
FEBRUARY 15, 2024 Journal Article Speciation and reactivity control of Cu-Oxo clusters via extraframework Al in mordenite for methane oxidation ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article Self-organization of 1-propanol at H-ZSM-5 Brønsted acid sites ( Read More )
FEBRUARY 15, 2024 Report Development of a Sulfur Tolerant CHG Process - CRADA 442 (Abstract) ( Read More )
FEBRUARY 15, 2024 Report Demonstrate the Catalytic Conversion Fermentation Derived Intermediate to Isoprene - CRADA 365 (Abstract) ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
NOVEMBER 10, 2023 Journal Article Metal-organic framework supported single-site nickel catalysts for butene dimerization ( Read More )
OCTOBER 31, 2023 Report Understanding Technical and Psychosocial Barriers to Realizing FAIR Data Process ( Read More )
OCTOBER 26, 2023 Journal Article A parallel, distributed memory implementation of the adaptive sampling configuration interaction method ( Read More )
OCTOBER 25, 2023 Journal Article Quantifying the impact of electric fields on the local structure and migration of potassium ions at the orthoclase (001) surface ( Read More )
OCTOBER 20, 2023 Journal Article Preface to “From coadsorption and catalysis at solid surfaces to liquid- solid interfaces in theory and experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)” ( Read More )
OCTOBER 18, 2023 Journal Article Machine Learning Assisted Phase and Size-Controlled Synthesis of Iron Oxide Particles ( Read More )
OCTOBER 14, 2023 Journal Article Structural relaxation of water during rapid cooling from ambient temperatures ( Read More )