Catalysis | Chemistry Enabling high throughput deep reinforcement learning with first principles to investigate catalytic reaction mechanisms. July 26, 2024
Catalysis | Chemical Engineering | Materials Science SEM Image Processing Assisted by Deep Learning to Quantify Mesoporous γ-Alumina Spatial Heterogeneity and Its Predicted Impact on Mass Transfer. May 29, 2024
Catalysis | Chemistry | Materials Science Revealing the reconstruction mechanism of AgPd nanoalloys under fluorination based on a multiscale deep learning potential. May 15, 2024
Catalysis | Chemical Engineering Bird’s-Eye View of the Activity Distribution on a Catalyst Surface via a Machine Learning-Driven Adequate Sampling Algorithm. April 25, 2024
Catalysis | Electrochemistry Spectroscopy-Guided Deep Learning Predicts Solid-Liquid Surface Adsorbate Properties in Unseen Solvents. December 29, 2023
Catalysis | Chemical Engineering | Materials Science Atomic-Scale 3D Structure of a Supported Pd Nanoparticle Revealed by Electron Tomography with Convolution Neural Network-Based Image Inpainting. December 3, 2023
Catalysis | Chemistry | Materials Science Quantitative 3D Characterization of Functionally Relevant Parameters in Heavy-Oxide-Supported 4d Metal Nanocatalysts. October 2, 2023
Catalysis | Chemical Engineering | Material Science Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions. June 14, 2023
Catalysis | Chemical Engineering | Materials Science Full Metal Species Quantification of Supported Catalysts: Beyond Metal Dispersion. May 4, 2023
Catalysis | Chemistry | Materials Science Elucidation of Cu-Zn Surface Alloying on Cu(997) by Machine-Learning Molecular Dynamics. March 1, 2023
Catalysis | Chemistry | Electrochemistry | Materials Science Data-Driven Discovery of Graphene-Based Dual-Atom Catalysts for Hydrogen Evolution Reaction with Graph Neural Network and DFT Calculations. February 6, 2023
Catalysis | Chemistry | Materials Science Metal Affinity of Support Dictates Sintering of Gold Catalysts. November 3, 2022