AIMC Topic: Hydrogenation
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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...
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 ...
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