[HTML][HTML] Recent advances in computational modeling of MOFs: From molecular simulations to machine learning
The reticular chemistry of metal–organic frameworks (MOFs) allows for the generation of an
almost boundless number of materials some of which can be a substitute for the traditionally …
almost boundless number of materials some of which can be a substitute for the traditionally …
Efficient removal of greenhouse gases: machine learning-assisted exploration of metal–organic framework space
R **: Ready for prime time
Membrane technology is a promising next-generation gas separation technology and has
drawn tremendous research interest during the past decades. Despite the advanced …
drawn tremendous research interest during the past decades. Despite the advanced …
Interpretable Machine‐Learning and Big Data Mining to Predict Gas Diffusivity in Metal‐Organic Frameworks
S Guo, X Huang, Y Situ, Q Huang, K Guan… - Advanced …, 2023 - Wiley Online Library
For gas separation and catalysis by metal‐organic frameworks (MOFs), gas diffusion has a
substantial impact on the process' overall rate, so it is necessary to determine the molecular …
substantial impact on the process' overall rate, so it is necessary to determine the molecular …
Integrating Molecular Simulations with Machine Learning Guides in the Design and Synthesis of [BMIM][BF4]/MOF Composites for CO2/N2 Separation
Considering the existence of a large number and variety of metal–organic frameworks
(MOFs) and ionic liquids (ILs), assessing the gas separation potential of all possible IL/MOF …
(MOFs) and ionic liquids (ILs), assessing the gas separation potential of all possible IL/MOF …
Challenges and solutions to the scale-up of porous materials
With increasing pace, crystalline open frameworks are moving to larger scale, mature
applications that stretch as broadly as catalysis, separation, water purification, adsorption …
applications that stretch as broadly as catalysis, separation, water purification, adsorption …
Unified roadmap for ZIF-8 nucleation and growth: machine learning analysis of synthetic variables and their impact on particle size and morphology
Metal–organic frameworks (MOFs) have settled in the scientific community over the last
decades as versatile materials with several applications. Among those, zeolitic imidazolate …
decades as versatile materials with several applications. Among those, zeolitic imidazolate …