Perturbation Theory–Machine Learning Study of Zeolite Materials Desilication

Zeolites are important
materials for research and industrial applications.
Mesopores are often introduced by desilication but other properties
are also affected, making its optimization difficult. In this work,
we demonstrate that Perturbation Theory and Machine Learning can be
combined in a PTML multioutput model describing the effects of desilication.
The PTML model achieves a notable accuracy (R2 = 0.98) in the external validation and can be useful for
the rational design of novel materials.