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Royal Society of Chemistry, Chemical Science, 37(11), p. 10113-10118, 2020

DOI: 10.1039/d0sc03918g

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Thermodynamic Rules for Zeolite Formation from Machine Learning based Global Optimization

Journal article published in 2020 by Sicong Ma ORCID, Cheng Shang ORCID, Chuan-Ming Wang ORCID, Zhipan 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

Machine learning based atomic simulation explores more than one million minima from global potential energy surface of SiAlPO system, and identifies thermodynamics rules on energetics, framework and composition for stable zeolite.