Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials

Data-Driven Strategies for Accelerated Materials Design

(2021) Robert Pollice et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nanoporous Material Recognition via 3D Convolutional Neural Networks: Prediction of Adsorption Properties

(2021) Eun Hyun Cho et al.   Journal of Physical Chemistry Letters

A Universal Standard Archive File for Adsorption Data

(2021) Jack D. Evans et al.   LANGMUIR

Machine learning and descriptor selection for the computational discovery of metal-organic frameworks

(2021) Krishnendu Mukherjee et al.   MOLECULAR SIMULATION

In Silico Evolution of High-Performing Metal Organic Frameworks for Methane Adsorption

(2021) Nicole Beauregard et al.   Journal of Chemical Information and Modeling

Imputation of missing gas permeability data for polymer membranes using machine learning

(2021) Qi Yuan et al.   JOURNAL OF MEMBRANE SCIENCE

Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning

(2021) Yangzesheng Sun et al.   Science Advances

Data Mining for Binary Separation Materials in Published Adsorption Isotherms

(2020) Paul Iacomi et al.   CHEMISTRY OF MATERIALS

Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials

(2020) Aditi S. Krishnapriyan et al.   Journal of Physical Chemistry C

Transfer Learning Study of Gas Adsorption in Metal–Organic Frameworks

(2020) Ruimin Ma et al.   ACS Applied Materials & Interfaces

Permanently Microporous Metal–Organic Polyhedra

(2020) Eric J. Gosselin et al.   CHEMICAL REVIEWS

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

(2020) Kevin Maik Jablonka et al.   CHEMICAL REVIEWS

Understanding the diversity of the metal-organic framework ecosystem

(2020) Seyed Mohamad Moosavi et al.   Nature Communications

Machine learning approaches for the prediction of materials properties

(2020) Siwar Chibani et al.   APL Materials

Recommender Systems in Antiviral Drug Discovery

(2020) Ekaterina A. Sosnina et al.   ACS Omega

Post‐Synthetic Modification of Metal–Organic Frameworks Toward Applications

(2020) Sukhendu Mandal et al.   ADVANCED FUNCTIONAL MATERIALS

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

(2020) Daniele Ongari et al.   ACS Central Science

Materials Cloud, a platform for open computational science

(2020) Leopold Talirz et al.   Scientific Data

Machine Learning-Aided Computational Study of Metal–Organic Frameworks for Sour Gas Sweetening

(2020) Eun Hyun Cho et al.   Journal of Physical Chemistry C

Unsupervised word embeddings capture latent knowledge from materials science literature

(2019) Vahe Tshitoyan et al.   NATURE

Modelling of framework materials at multiple scales: current practices and open questions

(2019) Guillaume Fraux et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

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

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

The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

(2019) Arni Sturluson et al.   MOLECULAR SIMULATION

Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks

(2019) Daniele Ongari et al.   ACS Central Science

Recommender System of Successful Processing Conditions for New Compounds Based on a Parallel Experimental Data Set

(2019) Hiroyuki Hayashi et al.   CHEMISTRY OF MATERIALS

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

Inference and uncertainty quantification for noisy matrix completion

(2019) Yuxin Chen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Machine Learning Enabled Tailor-Made Design of Application-Specific Metal–Organic Frameworks

(2019) Xiangyu Zhang et al.   ACS Applied Materials & Interfaces

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

(2019) Peter G. Boyd et al.   NATURE

In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

(2018) Rocío Mercado et al.   CHEMISTRY OF MATERIALS

Text Mining Metal–Organic Framework Papers

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

Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

(2018) Atsuto Seko et al.   PHYSICAL REVIEW MATERIALS

Role of Pore Chemistry and Topology in the CO2 Capture Capabilities of MOFs: From Molecular Simulation to Machine Learning

(2018) Ryther Anderson et al.   CHEMISTRY OF MATERIALS

Inverse molecular design using machine learning: Generative models for matter engineering

(2018) Benjamin Sanchez-Lengeling et al.   SCIENCE

Eigencages: Learning a Latent Space of Porous Cage Molecules

(2018) Arni Sturluson et al.   ACS Central Science

The atom, the molecule, and the covalent organic framework

(2017) Christian S. Diercks et al.   SCIENCE

Julia: A Fresh Approach to Numerical Computing

(2017) Jeff Bezanson et al.   SIAM REVIEW

Quantifying similarity of pore-geometry in nanoporous materials

(2017) Yongjin Lee et al.   Nature Communications

Machine Learning Using Combined Structural and Chemical Descriptors for Prediction of Methane Adsorption Performance of Metal Organic Frameworks (MOFs)

(2017) Maryam Pardakhti et al.   ACS Combinatorial Science

Porous Molecular Solids and Liquids

(2017) Andrew I. Cooper   ACS Central Science

Computational development of the nanoporous materials genome

(2017) Peter G. Boyd et al.   Nature Reviews Materials

Chemically intuited, large-scale screening of MOFs by machine learning techniques

(2017) Giorgos Borboudakis et al.   npj Computational Materials

A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks

(2016) Dalar Nazarian et al.   CHEMISTRY OF MATERIALS

Machine Learning Approach for Prediction and Search: Application to Methane Storage in a Metal–Organic Framework

(2016) Hiroshi Ohno et al.   Journal of Physical Chemistry C

Taking the Human Out of the Loop: A Review of Bayesian Optimization

(2016) Bobak Shahriari et al.   PROCEEDINGS OF THE IEEE

The role of metal–organic frameworks in a carbon-neutral energy cycle

(2016) Alexander Schoedel et al.   Nature Energy

Materials design by evolutionary optimization of functional groups in metal-organic frameworks

(2016) S. P. Collins et al.   Science Advances

In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm

(2016) Y. G. Chung et al.   Science Advances

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

(2015) Cory M. Simon et al.   CHEMISTRY OF MATERIALS

Function-led design of new porous materials

(2015) A. G. Slater et al.   SCIENCE

Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals

(2014) Yongchul G. Chung et al.   CHEMISTRY OF MATERIALS

In Silico Discovery of High Deliverable Capacity Metal–Organic Frameworks

(2014) Yi Bao et al.   Journal of Physical Chemistry C

Hydrocarbon Separations in Metal–Organic Frameworks

(2013) Zoey R. Herm et al.   CHEMISTRY OF MATERIALS

Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

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

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

Metal–Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?

(2012) Omar K. Farha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal–Organic Framework Materials as Chemical Sensors

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

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

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

Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation

(2010) Weigang Lu et al.   CHEMISTRY OF MATERIALS

Metal-Organic Frameworks: Opportunities for Catalysis

(2009) David Farrusseng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective gas adsorption and separation in metal–organic frameworks

(2009) Jian-Rong Li et al.   CHEMICAL SOCIETY REVIEWS

Matrix Factorization Techniques for Recommender Systems

(2009) Yehuda Koren et al.   COMPUTER

Gas Storage in Nanoporous Materials

(2008) Russell E. Morris et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reticular Chemistry of Metal–Organic Polyhedra

(2008) David J. Tranchemontagne et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION