FEBRUARY 15, 2024 Journal Article Elucidating the Effect of Ion Exchange Protocol on the Copper Exchange Efficacy, Copper Siting, and SCR activity in Cu-SSZ-13 ( Read More )
FEBRUARY 15, 2024 Journal Article Determining Catalytically Relevant Surfaces Through Coverage-Dependent Lattice Gas Models: Carbon Adsorption on Fe(100) ( Read More )
FEBRUARY 15, 2024 Journal Article Potential of the Julia programming language for high energy physics computing ( Read More )
FEBRUARY 15, 2024 Journal Article Exploring NaCl-PuCl3 Molten Salts with Machine Learning Interatomic Potentials and Graph Theory ( Read More )
FEBRUARY 15, 2024 Journal Article (NH4)2[UO2Cl4]·2H2O, a new uranyl tetrachloride with ammonium charge-balancing cations ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
NOVEMBER 10, 2023 Journal Article Metal-organic framework supported single-site nickel catalysts for butene dimerization ( Read More )
NOVEMBER 4, 2023 Conference Paper FLASH: FPGA-Accelerated Smart Switches with GCN Case Study ( Read More )
OCTOBER 31, 2023 Report Understanding Technical and Psychosocial Barriers to Realizing FAIR Data Process ( Read More )
OCTOBER 28, 2023 Report Proxy Applications for Converged Workloads: DMC LDRD Initiative ( Read More )
OCTOBER 27, 2023 Conference Paper Design and Evaluation of GPU-FPX: A Low-Overhead tool for Floating-Point Exception Detection in NVIDIA GPUs ( Read More )
OCTOBER 27, 2023 Conference Paper BitGNN: Unlocking the Performance Potential of Binary Graph Neural Networks on GPUs ( Read More )
OCTOBER 27, 2023 Conference Paper Ising-Traffic: Using Ising Machine Learning to Predict Traffic Congestion under Uncertainty ( 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 )