High dynamic separation performance of metal–organic frameworks for D2/H2: Independent or competitive adsorption?

Highly Effective H2/D2 Separation within the Stable Cu(I)Cu(II)-BTC: The Effect of Cu(I) Structure on Quantum Sieving

(2023) Xiaoyu Hu et al.   ACS Applied Materials & Interfaces

Large-Scale Computational Screening of Metal–Organic Frameworks for D2/H2 Separation

(2022) Fei Wang et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

The competitive and synergistic effect between adsorption enthalpy and capacity in D2/H2 separation of M2(m-dobdc) frameworks

(2021) Fan Wu et al.   CHINESE CHEMICAL LETTERS

Rapid Screening of Metal–Organic Frameworks for Propane/Propylene Separation by Synergizing Molecular Simulation and Machine Learning

(2021) Hongjian Tang et al.   ACS Applied Materials & Interfaces

A Universal Machine Learning Algorithm for Large-Scale Screening of Materials

(2020) George S. Fanourgakis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Use of breakthrough experiment to evaluate the performance of hydrogen isotope separation for metal-organic frameworks M-MOF-74 (M=Co, Ni, Mg, Zn)

(2020) Yanan Si et al.   Science China-Chemistry

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

(2020) Kevin Maik Jablonka et al.   CHEMICAL REVIEWS

Highly selective adsorption of D2 from hydrogen isotopes mixture in a robust metal bistriazolate framework with open metal sites

(2020) Xintong Li et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

An Automated Machine Learning architecture for the accelerated prediction of Metal-Organic Frameworks performance in energy and environmental applications

(2020) Ioannis Tsamardinos et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Understanding the diversity of the metal-organic framework ecosystem

(2020) Seyed Mohamad Moosavi et al.   Nature Communications

Molecular Sieves for the Separation of Hydrogen Isotopes

(2019) Julio Perez-Carbajo et al.   ACS Applied Materials & Interfaces

Modeling of fixed-bed columns for gas physical adsorption

(2019) Francisco Javier Gutiérrez Ortiz et al.   CHEMICAL ENGINEERING JOURNAL

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

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

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

Toward the inverse design of MOF membranes for efficient D2/H2 separation by combination of physics-based and data-driven modeling

(2019) Musen Zhou et al.   JOURNAL OF MEMBRANE SCIENCE

Highly effective H2/D2 separation in a stable Cu-based metal-organic framework

(2019) Yanan Si et al.   Nano Research

Barely porous organic cages for hydrogen isotope separation

(2019) Ming Liu et al.   SCIENCE

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

(2019) Peter G. Boyd et al.   NATURE

High-Throughput Computational Screening of the Metal Organic Framework Database for CH4/H2 Separations

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

Back-Analysis Method for Stope Displacements Using Gradient-Boosted Regression Tree and Firefly Algorithm

(2018) Chongchong Qi et al.   JOURNAL OF COMPUTING IN CIVIL ENGINEERING

Screening of Metal–Organic Frameworks for Highly Effective Hydrogen Isotope Separation by Quantum Sieving

(2018) Guopeng Han et al.   ACS Applied Materials & Interfaces

Computational screening of hydrophobic metal–organic frameworks for the separation of H2S and CO2 from natural gas

(2018) Zhiwei Qiao et al.   Journal of Materials Chemistry A

Ultrahigh Effective H2/D2 Separation in an Ultramicroporous Metal-organic Framework Material through Quantum Sieving

(2018) Dawei Cao et al.   Journal of Materials Chemistry A

Hydrogen Isotope Separation in Confined Nanospaces: Carbons, Zeolites, Metal-Organic Frameworks, and Covalent Organic Frameworks

(2018) Jin Yeong Kim et al.   ADVANCED MATERIALS

Linear stability of toroidal Alfvén eigenmodes in the Chinese Fusion Engineering Test Reactor

(2017) Wenjun Yang et al.   FUSION ENGINEERING AND DESIGN

Selective Hydrogen Isotope Separation via Breathing Transition in MIL-53(Al)

(2017) Jin Yeong Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum Sieving for Separation of Hydrogen Isotopes Using MOFs

(2016) Hyunchul Oh et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

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

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

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

The ITER project construction status

(2015) O. Motojima   NUCLEAR FUSION

High-throughput computational screening of metal–organic frameworks

(2014) Yamil J. Colón et al.   CHEMICAL SOCIETY REVIEWS

Highly Effective Hydrogen Isotope Separation in Nanoporous Metal–Organic Frameworks with Open Metal Sites: Direct Measurement and Theoretical Analysis

(2013) Hyunchul Oh et al.   ACS Nano

Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3]

(2013) Zi-Yi Du et al.   CHEMICAL COMMUNICATIONS

Highly Selective Quantum Sieving of D2 from H2 by a Metal–Organic Framework As Determined by Gas Manometry and Infrared Spectroscopy

(2013) Stephen A. FitzGerald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum cryo-sieving for hydrogen isotope separation in microporous frameworks: an experimental study on the correlation between effective quantum sieving and pore size

(2013) Hyunchul Oh et al.   Journal of Materials Chemistry A

MFU-4 - A Metal-Organic Framework for Highly Effective H2/D2Separation

(2012) Julia Teufel et al.   ADVANCED MATERIALS

An Extended Charge Equilibration Method

(2012) Christopher E. Wilmer et al.   Journal of Physical Chemistry Letters

Quantum sieving: feasibility and challenges for the separation of hydrogen isotopes in nanoporous materials

(2012) Jinjun Cai et al.   RSC Advances

Quantum Sieving in Metal–Organic Frameworks: A Computational Study

(2011) Dahuan Liu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

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

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

Hydrogen bonding at the water surface revealed by isotopic dilution spectroscopy

(2011) Igor V. Stiopkin et al.   NATURE

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dynamic experiments and model of hydrogen and deuterium separation with micropore molecular sieve Y at 77K

(2009) Xiao-Zhong Chu et al.   CHEMICAL ENGINEERING JOURNAL

Preferred Hydrogen Adsorption Sites in Various MOFs-A Comparative Computational Study

(2009) Michael Fischer et al.   CHEMPHYSCHEM

Adsorption and desorption of hydrogen on metal–organic framework materials for storage applications: comparison with other nanoporous materials

(2009) K. Mark Thomas   DALTON TRANSACTIONS

Impact of the carbon pore size and topology on the equilibrium quantum sieving of hydrogen isotopes at zero coverage and finite pressures

(2009) Piotr Kowalczyk et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Soft porous crystals

(2009) Satoshi Horike et al.   Nature Chemistry

The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets

(2008) Michael O’Keeffe et al.   ACCOUNTS OF CHEMICAL RESEARCH

Quantum sieving in organic frameworks

(2008) Giovanni Garberoglio   CHEMICAL PHYSICS LETTERS

Quantum Sieving Effect of Three-Dimensional Cu-Based Organic Framework for H2and D2

(2008) Daisuke Noguchi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY