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Royal Society of Chemistry, Chemical Science, 18(13), p. 5055-5068, 2022

DOI: 10.1039/d2sc01225a

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Machine learning potential era of zeolite simulation

Journal article published in 2022 by Sicong Ma ORCID, Zhi-Pan Liu ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The machine learning atomic simulation will usher the research of zeolite, as other complex materials, into a new era featuring the easy access to zeolite functionalities predicted from theory.