High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability

Building zeolites from pre-crystallized units: nanoscale architecture

(2018) Avelino Corma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Predicting New Zeolites: A Combination of Thermodynamic and Kinetic Factors

(2018) Ekaterina D. Kuznetsova et al.   CHEMISTRY OF MATERIALS

Thermodynamic limit for synthesis of metastable inorganic materials

(2018) Muratahan Aykol et al.   Science Advances

NOMAD: The FAIR concept for big data-driven materials science

(2018) Claudia Draxl et al.   MRS BULLETIN

In situ solid-state NMR and XRD studies of the ADOR process and the unusual structure of zeolite IPC-6

(2017) Samuel A. Morris et al.   Nature Chemistry

Uncovering structure-property relationships of materials by subgroup discovery

(2017) Bryan R Goldsmith et al.   NEW JOURNAL OF PHYSICS

Screening out unfeasible hypothetical zeolite structures via the closest non-adjacent O⋯O pairs

(2017) Junran Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships

(2016) Anubhav Jain et al.   JOURNAL OF MATERIALS RESEARCH

Disruptive catalysis by zeolites

(2016) S. Abate et al.   Catalysis Science & Technology

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

(2015) Veronique Van Speybroeck et al.   CHEMICAL SOCIETY REVIEWS

Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates

(2015) Nils E. R. Zimmermann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of ‘unfeasible’ zeolites

(2015) Michal Mazur et al.   Nature Chemistry

In silico prediction and screening of modular crystal structures via a high-throughput genomic approach

(2015) Yi Li et al.   Nature Communications

Methanol to Olefins (MTO): From Fundamentals to Commercialization

(2015) Peng Tian et al.   ACS Catalysis

Criteria for Zeolite Frameworks Realizable for Target Synthesis

(2013) Yi Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Zeolite Conundrum: Why Are There so Many Hypothetical Zeolites and so Few Observed? A Possible Answer from the Zeolite-Type Frameworks Perceived As Packings of Tiles

(2013) Vladislav A. Blatov et al.   CHEMISTRY OF MATERIALS

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Flexibility As an Indicator of Feasibility of Zeolite Frameworks

(2012) Colby J. Dawson et al.   Journal of Physical Chemistry C

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Opportunities and challenges for first-principles materials design and applications to Li battery materials

(2011) Gerbrand Ceder   MRS BULLETIN

A database of new zeolite-like materials

(2011) Ramdas Pophale et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density of Mechanisms within the Flexibility Window of Zeolites

(2011) V. Kapko et al.   PHYSICAL REVIEW LETTERS

Flexibility of ideal zeolite frameworks

(2010) V. Kapko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational Discovery of New Zeolite-Like Materials

(2009) Michael W. Deem et al.   Journal of Physical Chemistry C

Impact of Zeolites on the Petroleum and Petrochemical Industry

(2009) W. Vermeiren et al.   TOPICS IN CATALYSIS

Hypothetical Zeolitic Frameworks:  In Search of Potential Heterogeneous Catalysts

(2008) Dorota Majda et al.   Journal of Physical Chemistry C