Thermodynamic rules for zeolite formation from machine learning based global optimization
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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.
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Keyword(s):
2019 ◽
Vol 123
(28)
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pp. 17539-17547
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Keyword(s):
2020 ◽
Vol 152
(9)
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pp. 094703
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