Big-data science in porous materials: materials genomics and machine learning
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 …
possible metal–organic frameworks (MOFs). The fact that we have so many materials opens …
Machine learning meets with metal organic frameworks for gas storage and separation
The acceleration in design of new metal organic frameworks (MOFs) has led scientists to
focus on high-throughput computational screening (HTCS) methods to quickly assess the …
focus on high-throughput computational screening (HTCS) methods to quickly assess the …
Materials informatics with PoreBlazer v4. 0 and the CSD MOF database
The development of computational methods to explore crystalline materials has received
significant attention in the last decades. Different codes have been reported to help …
significant attention in the last decades. Different codes have been reported to help …
Performance-based screening of porous materials for carbon capture
Computational screening methods have changed the way new materials and processes are
discovered and designed. For adsorption-based gas separations and carbon capture, recent …
discovered and designed. For adsorption-based gas separations and carbon capture, recent …
Computational screening of trillions of metal–organic frameworks for high-performance methane storage
In the past decade, there has been an increasing number of computational screening works
to facilitate finding optimal materials for a variety of different applications. Unfortunately, most …
to facilitate finding optimal materials for a variety of different applications. Unfortunately, most …
Sha** the future of fuel: Monolithic metal–organic frameworks for high-density gas storage
The environmental benefits of cleaner, gaseous fuels such as natural gas and hydrogen are
widely reported. Yet, practical usage of these fuels is inhibited by current gas storage …
widely reported. Yet, practical usage of these fuels is inhibited by current gas storage …
Electrocatalytic reduction of carbon dioxide to high-value multicarbon products with metal–organic frameworks and their derived materials
The electrocatalytic carbon dioxide reduction reaction (CO2RR) holds great potential in
promoting carbon neutral through effectively converting CO2 molecules to useful chemicals …
promoting carbon neutral through effectively converting CO2 molecules to useful chemicals …
Preparation of highly porous metal–organic framework beads for metal extraction from liquid streams
Metal–organic frameworks (MOFs) offer great promise in a variety of gas-and liquid-phase
separations. However, the excellent performance on the lab scale hardly translates into pilot …
separations. However, the excellent performance on the lab scale hardly translates into pilot …
A million crystal structures: The whole is greater than the sum of its parts
R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
Structural diversity of zirconium metal–organic frameworks and effect on adsorption of toxic chemicals
Y Chen, X Zhang, MR Mian, FA Son… - Journal of the …, 2020 - ACS Publications
While linkers with various conformations pose challenges in the design and prediction of
metal–organic framework (MOF) structures, they ultimately provide great opportunities for …
metal–organic framework (MOF) structures, they ultimately provide great opportunities for …