AIMC Topic: Hydrogenation

Clear Filters Showing 1 to 3 of 3 articles

FPNC Net: A hydrogenation catalyst image recognition algorithm based on deep learning.

PloS one May 20, 2024
The identification research of hydrogenation catalyst information has always been one of the most important businesses in the chemical industry. In order to aid researchers in efficiently screening high-performance catalyst carriers and tackle the pr...
Neural Networks, Computer Algorithms Deep Learning Image Processing, Computer-Assisted Catalysis Hydrogenation
View on PubMed DOI

Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson's Catalyst Case.

Molecules (Basel, Switzerland) May 31, 2023
Ab initio kinetic studies are important to understand and design novel chemical reactions. While the Artificial Force Induced Reaction (AFIR) method provides a convenient and efficient framework for kinetic studies, accurate explorations of reaction ...
Neural Networks, Computer Kinetics Hydrogenation
View on PubMed DOI

Machine Learning-Driven Prediction of Electrochemical Promotion in the Reverse Water Gas Shift Reaction.

Journal of chemical information and modeling Aug 11, 2025
Electrochemical promotion of catalysis (EPOC) provides an effective and versatile strategy to enhance catalytic activity, selectivity, and stability in the reverse water-gas shift (RWGS) reaction, facilitating efficient CO hydrogenation to syngas und...
Machine Learning Water Electrochemical Techniques Catalysis Carbon Dioxide Gases Hydrogenation
View on PubMed DOI
Popular Topics
Recent Journals