Machine-Learning-Assisted High-Throughput computational screening of Metal–Organic framework membranes for hydrogen separation

Applying design principles to improve hydrogen storage capacity in nanoporous materials

(2021) N. Scott Bobbitt et al.   BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING

Fast fabrication of freestanding MXene-ZIF-8 dual-layered membranes for H2/CO2 separation

(2021) Xilu Hong et al.   JOURNAL OF MEMBRANE SCIENCE

Machine Learning-Driven Insights into Defects of Zirconium Metal–Organic Frameworks for Enhanced Ethane–Ethylene Separation

(2020) Ying Wu et al.   CHEMISTRY OF MATERIALS

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

(2020) Kevin Maik Jablonka et al.   CHEMICAL REVIEWS

Dynamic Studies on Kinetic H2/D2 Quantum Sieving in a Narrow Pore Metal‒Organic Framework Grown on a Sensor Chip

(2019) Dirk Volkmer et al.   CHEMISTRY-A EUROPEAN JOURNAL

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H2/N2 Separations

(2019) Ayda Nemati Vesali Azar et al.   ACS Sustainable Chemistry & Engineering

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

Microporous Metal-Organic Framework Materials for Gas Separation

(2019) Rui-Biao Lin et al.   Chem

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

(2019) Peter G. Boyd et al.   NATURE

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening

(2018) Cigdem Altintas et al.   ACS Applied Materials & Interfaces

Highly efficient H 2 /CO 2 separation via an ultrathin metal-organic framework membrane

(2018) Jiamin Hou et al.   CHEMICAL ENGINEERING SCIENCE

High-throughput computational screening of metal-organic framework membranes for upgrading of natural gas

(2018) Zhiwei Qiao et al.   JOURNAL OF MEMBRANE SCIENCE

Computational Screening of Metal–Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation

(2018) Hilal Daglar et al.   Journal of Physical Chemistry C

Recent advances in gas storage and separation using metal–organic frameworks

(2018) Hao Li et al.   Materials Today

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

Experimental analysis of membrane and pressure swing adsorption (PSA) for the hydrogen separation from natural gas

(2017) Werner Liemberger et al.   JOURNAL OF CLEANER PRODUCTION

Enhanced gas separation performance using mixed matrix membranes containing zeolite T and 6FDA-durene polyimide

(2017) Norwahyu Jusoh et al.   JOURNAL OF MEMBRANE SCIENCE

Use machine learning to find energy materials 

(2017) Phil De Luna et al.   NATURE

Nanoporous film-mediated growth of ultrathin and continuous metal–organic framework membranes for high-performance hydrogen separation

(2017) Shenxiang Zhang et al.   Journal of Materials Chemistry A

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

(2017) Giorgos Borboudakis et al.   npj Computational Materials

Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas

(2016) Mansi S. Shah et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Simulation studies of the characteristics of a cryogenic distillation column for hydrogen isotope separation

(2016) Rupsha Bhattacharyya et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO2/N2/CH4 mixture

(2016) Zhiwei Qiao et al.   Journal of Materials Chemistry A

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

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

Development of the Transferable Potentials for Phase Equilibria Model for Hydrogen Sulfide

(2015) Mansi S. Shah et al.   JOURNAL OF PHYSICAL CHEMISTRY B

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Polydopamine-based synthesis of a zeolite imidazolate framework ZIF-100 membrane with high H2/CO2 selectivity

(2015) Nanyi Wang et al.   Journal of Materials Chemistry A

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

Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption

(2013) Eugene S. Kadantsev et al.   Journal of Physical Chemistry Letters

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

Hydrogen Storage in Metal–Organic Frameworks

(2011) Myunghyun Paik Suh 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

CFD simulation with detailed chemistry of steam reforming of methane for hydrogen production in an integrated micro-reactor

(2010) Xuli Zhai et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Selective gas adsorption and separation in metal–organic frameworks

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

The upper bound revisited

(2008) Lloyd M. Robeson   JOURNAL OF MEMBRANE SCIENCE