• Corpus ID: 239885295

Ranking the Synthesizability of Hypothetical Zeolites with the Sorting Hat

@inproceedings{Helfrecht2021RankingTS,
  title={Ranking the Synthesizability of Hypothetical Zeolites with the Sorting Hat},
  author={Benjamin A. Helfrecht and Giovanni Pireddu and Rocio Semino and Scott M. Auerbach and Michele Ceriotti},
  year={2021}
}
Zeolites are nanoporous alumino-silicate frameworks widely used as catalysts and adsorbents. Even though millions of distinct siliceous networks can be generated by computer-aided searches, no new hypothetical framework has yet been synthesized. The needle-in-a-haystack problem of finding promising candidates among large databases of predicted structures has intrigued materials scientists for decades; most work to date on the zeolite problem has been limited to intuitive structural descriptors… 

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