Big-data science in porous materials: materials genomics and machine learning

KM Jablonka, D Ongari, SM Moosavi, B Smit - Chemical reviews, 2020 - ACS Publications
By combining metal nodes with organic linkers we can potentially synthesize millions of
possible metal–organic frameworks (MOFs). The fact that we have so many materials opens …

Two-dimensional zeolites: current status and perspectives

WJ Roth, P Nachtigall, RE Morris, J Cejka - Chemical reviews, 2014 - ACS Publications
Zeolites are well-known as valuable crystalline solids with framework structures containing
discrete micropores of molecular dimensions that accommodate exchangeable …

Synthesis of new zeolite structures

J Li, A Corma, J Yu - Chemical Society Reviews, 2015 - pubs.rsc.org
The search for new zeolites is of continuous interest in the field of zeolite science because of
their widespread application in catalysis and adsorption–separation. To this end …

Advances in theory and their application within the field of zeolite chemistry

V Van Speybroeck, K Hemelsoet, L Joos… - Chemical Society …, 2015 - pubs.rsc.org
Zeolites are versatile and fascinating materials which are vital for a wide range of industries,
due to their unique structural and chemical properties, which are the basis of applications in …

New stories of zeolite structures: their descriptions, determinations, predictions, and evaluations

Y Li, J Yu - Chemical reviews, 2014 - ACS Publications
Zeolites are an important class of inorganic crystalline materials that have been widely used
in the fields of petroleum refining, petrochemical industry, and fine chemical industry, as …

The ADOR mechanism for the synthesis of new zeolites

P Eliášová, M Opanasenko, PS Wheatley… - Chemical Society …, 2015 - pubs.rsc.org
A novel methodology, called ADOR (assembly–disassembly–organisation–reassembly), for
the synthesis of zeolites is reviewed here in detail. The ADOR mechanism stems from the …

Computational characterization and prediction of metal–organic framework properties

FX Coudert, AH Fuchs - Coordination Chemistry Reviews, 2016 - Elsevier
In this introductory review, we give an overview of the computational chemistry methods
commonly used in the field of metal–organic frameworks (MOFs), to describe or predict the …

Predicting the mechanical properties of zeolite frameworks by machine learning

JD Evans, FX Coudert - Chemistry of Materials, 2017 - ACS Publications
We show here that machine learning is a powerful new tool for predicting the elastic
response of zeolites. We built our machine learning approach relying on geometric features …

Machine learning applied to zeolite synthesis: the missing link for realizing high-throughput discovery

M Moliner, Y Román-Leshkov… - Accounts of chemical …, 2019 - ACS Publications
Conspectus Zeolites are microporous crystalline materials with well-defined cavities and
pores, which can be prepared under different pore topologies and chemical compositions …

Synthesis of 'unfeasible'zeolites

M Mazur, PS Wheatley, M Navarro, WJ Roth… - Nature …, 2016 - nature.com
Zeolites are porous aluminosilicate materials that have found applications in many different
technologies. However, although simulations suggest that there are millions of possible …