The journal of physical chemistry. A
AILD: An Interpretable AI Framework for Designing Logical Descriptors in Predicting CO Adsorption on Catalysts.
Yushun Chen, Zhiyong Xu, Tan Li, Wenbo Zhao
Published: 202610.1021/acs.jpca.5c06592
Abstract
A rigorous understanding of structure-property relationships is pivotal for the rational design of high-performance catalysts, which requires descriptors that are both predictive and physically interpretable. To overcome the limitations of empirical…
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