Ranking the synthesizability of hypothetical zeolites with the sorting hat-Reference-Cited by-同舟云学术

Ranking the synthesizability of hypothetical zeolites with the sorting hat

Published:2022 Issue:6 Volume:1 Page:779-789
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

Helfrecht Benjamin A.¹^ORCID,Pireddu Giovanni²³,Semino Rocio³⁴^ORCID,Auerbach Scott M.⁵^ORCID,Ceriotti Michele¹^ORCID

Affiliation:

1. Laboratory of Computational Science and Modeling, Institut des Matériaux, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

2. PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 24 rue Lhomond, 75005 Paris, France

3. Sorbonne Université, CNRS, Physico-chimie des Electrolytes et Nanosystèmes Interfaciaux, PHENIX, F-75005 Paris, France

4. ICGM, Univ. Montpellier, CNRS, ENSCM, Montpellier, France

5. Department of Chemistry and Department of Chemical Engineering, University of Massachusetts Amherst, Amherst, MA 01003, USA

Abstract

The Zeolite Sorting Hat: a data-driven framework that identifies hypothetical silica frameworks that are promising synthetic targets, and suggests the most likely compositional class for the candidate materials.

Funder

H2020 European Research Council

École Polytechnique Fédérale de Lausanne

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2022/DD/D2DD00056C

Reference50 articles.

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2. Enantiomerically enriched, polycrystalline molecular sieves

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