Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal–Organic Frameworks

Evaluating the Robustness of Metal–Organic Frameworks for Synthetic Chemistry

(2021) Zihao Wang et al.   ACS Applied Materials & Interfaces

Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks

(2021) Zach Jensen et al.   ACS Central Science

Inorganic Materials Synthesis Planning with Literature-Trained Neural Networks

(2020) Edward Kim et al.   Journal of Chemical Information and Modeling

Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

(2020) Jon Paul Janet et al.   ACS Central Science

Beyond the BET Analysis: The Surface Area Prediction of Nanoporous Materials Using a Machine Learning Method

(2020) Archit Datar et al.   Journal of Physical Chemistry Letters

Understanding the diversity of the metal-organic framework ecosystem

(2020) Seyed Mohamad Moosavi et al.   Nature Communications

High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials

(2020) Ivan G. Clayson et al.   ADVANCED MATERIALS

Destruction of Metal–Organic Frameworks: Positive and Negative Aspects of Stability and Lability

(2020) Liang Feng et al.   CHEMICAL REVIEWS

The thermal stability of metal-organic frameworks

(2020) Colm Healy et al.   COORDINATION CHEMISTRY REVIEWS

Catalysis by Metal Organic Frameworks: Perspective and Suggestions for Future Research

(2019) Dong Yang et al.   ACS Catalysis

Structure–Activity Relationships That Identify Metal–Organic Framework Catalysts for Methane Activation

(2019) Andrew S. Rosen et al.   ACS Catalysis

Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models

(2019) Chenru Duan et al.   Journal of Chemical Theory and Computation

Torsion Angle Effect on the Activation of UiO Metal–Organic Frameworks

(2019) Ghada Ayoub et al.   ACS Applied Materials & Interfaces

Selective Methane Oxidation to Methanol on Cu-oxo Dimers Stabilized by Zirconia Nodes of NU-1000 Metal–Organic Framework

(2019) Jian Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Machine Learning Approach to Zeolite Synthesis Enabled by Automatic Literature Data Extraction

(2019) Zach Jensen et al.   ACS Central Science

Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature

(2019) Leigh Weston et al.   Journal of Chemical Information and Modeling

Ligand Rigidification for Enhancing the Stability of Metal–Organic Frameworks

(2019) Xiu-Liang Lv et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis

(2019) Benjamin J. Bucior et al.   CRYSTAL GROWTH & DESIGN

Anthropogenic biases in chemical reaction data hinder exploratory inorganic synthesis

(2019) Xiwen Jia et al.   NATURE

Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

(2019) Yongchul G. Chung et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Structure, Dynamics, and Reactivity for Light Alkane Oxidation of Fe(II) Sites Situated in the Nodes of a Metal–Organic Framework

(2019) Matthew C. Simons et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Data-driven design of metal–organic frameworks for wet flue gas CO2 capture

(2019) Peter G. Boyd et al.   NATURE

Does repeat synthesis in materials chemistry obey a power law?

(2019) Mayank Agrawal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational Predictions and Experimental Validation of Alkane Oxidative Dehydrogenation by Fe2M MOF Nodes

(2019) Melissa Barona et al.   ACS Catalysis

Stable Metal-Organic Frameworks: Design, Synthesis, and Applications

(2018) Shuai Yuan et al.   ADVANCED MATERIALS

Text Mining Metal–Organic Framework Papers

(2018) Sanghoon Park et al.   Journal of Chemical Information and Modeling

Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal–Organic Frameworks

(2018) Miguel I. Gonzalez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isolated Fe Sites in Metal Organic Frameworks Catalyze the Direct Conversion of Methane to Methanol

(2018) Dmitrii Y. Osadchii et al.   ACS Catalysis

Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids

(2018) Seyed Mohamad Moosavi et al.   ACS Central Science

The Metal–Organic Framework Collapse Continuum: Insights from Two-Dimensional Powder X-ray Diffraction

(2018) Ryan A. Dodson et al.   CHEMISTRY OF MATERIALS

Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry

(2018) Aditya Nandy et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Drinking and Breathing: Solvent Coordination-driven Plasticity of IRMOF-9

(2018) Stefano Canossa et al.   ISRAEL JOURNAL OF CHEMISTRY

Metallic Metal–Organic Frameworks Predicted by the Combination of Machine Learning Methods and Ab Initio Calculations

(2018) Yuping He et al.   Journal of Physical Chemistry Letters

Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships

(2017) Jon Paul Janet et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Grand Challenges and Future Opportunities for Metal–Organic Frameworks

(2017) Christopher H. Hendon et al.   ACS Central Science

Virtual screening of inorganic materials synthesis parameters with deep learning

(2017) Edward Kim et al.   npj Computational Materials

Electrically Conductive Porous Metal-Organic Frameworks

(2016) Lei Sun et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational characterization and prediction of metal–organic framework properties

(2016) François-Xavier Coudert et al.   COORDINATION CHEMISTRY REVIEWS

ChemDataExtractor: A Toolkit for Automated Extraction of Chemical Information from the Scientific Literature

(2016) Matthew C. Swain et al.   Journal of Chemical Information and Modeling

molSimplify: A toolkit for automating discovery in inorganic chemistry

(2016) Efthymios I. Ioannidis et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Chemical, thermal and mechanical stabilities of metal–organic frameworks

(2016) Ashlee J. Howarth et al.   Nature Reviews Materials

Cu3(hexaiminotriphenylene)2: An Electrically Conductive 2D Metal-Organic Framework for Chemiresistive Sensing

(2015) Michael G. Campbell et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Predicting solvent effects on the structure of porous organic molecules

(2015) Valentina Santolini et al.   CHEMICAL COMMUNICATIONS

The materials genome in action: identifying the performance limits for methane storage

(2015) Cory M. Simon et al.   Energy & Environmental Science

MOF-based electronic and opto-electronic devices

(2014) V. Stavila et al.   CHEMICAL SOCIETY REVIEWS

Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials

(2014) Diego A. Gómez-Gualdrón et al.   Journal of Physical Chemistry C

Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 Capture

(2014) Michael Fernandez et al.   Journal of Physical Chemistry Letters

Oxidation of ethane to ethanol by N2O in a metal–organic framework with coordinatively unsaturated iron(II) sites

(2014) Dianne J. Xiao et al.   Nature Chemistry

Coordination copolymerization of three carboxylate linkers into a pillared layer framework

(2014) Ananya Dutta et al.   Chemical Science

What can pKa and NBO charges of the ligands tell us about the water and thermal stability of metal organic frameworks?

(2014) Ping Lu et al.   Journal of Materials Chemistry A

Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs

(2014) Lila Bouëssel du Bourg et al.   APL Materials

Activation of metal–organic framework materials

(2013) Joseph E. Mondloch et al.   CRYSTENGCOMM

A Route to Metal–Organic Frameworks through Framework Templating

(2013) Zhangwen Wei et al.   INORGANIC CHEMISTRY

Atomic Property Weighted Radial Distribution Functions Descriptors of Metal–Organic Frameworks for the Prediction of Gas Uptake Capacity

(2013) Michael Fernandez et al.   Journal of Physical Chemistry C

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

Urothermal synthesis and distinct thermal behavior of isostructural transition metal-based MIL-53 analogs

(2012) Fei Wang et al.   SOLID STATE SCIENCES

Metal-adeninate vertices for the construction of an exceptionally porous metal-organic framework

(2012) Jihyun An et al.   Nature Communications

Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites

(2011) Norbert Stock et al.   CHEMICAL REVIEWS

Metal–Organic Framework Materials as Chemical Sensors

(2011) Lauren E. Kreno et al.   CHEMICAL REVIEWS

Carbon Dioxide Capture in Metal–Organic Frameworks

(2011) Kenji Sumida et al.   CHEMICAL REVIEWS

Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials

(2011) Richard Luis Martin et al.   Journal of Chemical Information and Modeling

Thermal Analysis and Heat Capacity Study of Metal–Organic Frameworks

(2011) Bin Mu et al.   Journal of Physical Chemistry C

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

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

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Rational Design, Synthesis, Purification, and Activation of Metal−Organic Framework Materials

(2010) Omar K. Farha et al.   ACCOUNTS OF CHEMICAL RESEARCH

Postsynthetic modification of metal–organic frameworks

(2009) Zhenqiang Wang et al.   CHEMICAL SOCIETY REVIEWS

Metal–organic framework materials as catalysts

(2009) JeongYong Lee et al.   CHEMICAL SOCIETY REVIEWS

The pervasive chemistry of metal–organic frameworks

(2009) Jeffrey R. Long et al.   CHEMICAL SOCIETY REVIEWS

Structure and Charge Control in Metal-Organic Frameworks Based on the Tetrahedral Ligand Tetrakis(4-tetrazolylphenyl)methane

(2008) Mircea Dincǎ et al.   CHEMISTRY-A EUROPEAN JOURNAL