Mixed-metal MOFs are metal–organic frameworks that contain at least 2 different metal ions
as nodes of their frameworks. They are prepared relatively easily by either a one-pot …

Nanoparticles have become a vital part of a vast number of established processes and
products; they are used as catalysts, in cosmetics, and even by the pharmaceutical industry …

Shale gas, although unconventional, is a prospective clean energy source. Shale gas
production is a complex multi-scale process with its spatial size ranging from the nanoscale …

CO2 capture and sequestration based on hydrate technology are considered supplementary
approaches for reducing carbon emissions and mitigating the greenhouse effect. Direct CO2 …

This review concentrates on the advances of atomistic molecular simulations to design and
evaluate amorphous microporous polymeric materials for CO2 capture and separations. A …

Flexibility is a unique property of metal-organic frameworks (MOFs) that differentiates them
from other rigid inorganic porous materials such as zeolites and porous silica. Flexible …

Some of the most remarkable recent developments in metal–organic framework (MOF)
performance properties can only be rationalized by the mechanical properties endowed by …

Recent progress in the synthesis and characterization of metal–organic frameworks (MOFs)
has opened the door to an increasing number of possible catalytic applications. The great …

A novel computational methodology for large-scale screening of MOFs is applied to gas
storage with the use of machine learning technologies. This approach is a promising trade …

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 …