ERD

Hierarchical Computational Screening of Quantum Metal–Organic Framework Database to Identify Metal–Organic Framework...

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Composite of MIL-101(Cr) with a Pyrrolidinium-Based Ionic Liquid Providing High CO2 Selectivity

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Rapid and Accurate Screening of the COF Space for Natural Gas Purification: COFInformatics

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Periodic Reporting for period 4 - COSMOS (Computational Simulations of MOFs for Gas Separations)

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

A novel IL/MOF/polymer mixed matrix membrane having superior CO2/N2 selectivity

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Advancing CH4/H2 separation with covalent organic frameworks by combining molecular simulations an...

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Revealing acetylene separation performances of anion-pillared MOFs by combining molecular simulations and machine learni...

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

Incorporation of a pyrrolidinium-based ionic liquid/MIL-101(Cr) composite into Pebax sets a new benchmark for CO2/N2 sel...

Project: COSMOS

Updated at: 01-01-2025

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Project acronym COSMOS

How Reproducible Are Surface Areas Calculated from the BET Equation

Project: COSMOS

Updated at: 18-07-2024

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Project acronym COSMOS

Evaluating CH4/N2 Separation Performances of Hundreds of Thousands of Real and Hypothetical MOFs b...

Project: COSMOS

Updated at: 18-07-2024

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Project acronym COSMOS

Accelerated Discovery of Metal–Organic Frameworks for CO2 Capture by Artificial Intelligence

Project: COSMOS

Updated at: 18-07-2024

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Project acronym COSMOS

High-throughput computational screening of MOF adsorbents for efficient propane capture from air and natural gas mixture...

Project: COSMOS

Updated at: 18-07-2024

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Project acronym COSMOS

On the shoulders of high-throughput computational screening and machine learning: Design and discovery of MOFs for H2 st...

Project: COSMOS

Updated at: 18-07-2024

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Project acronym COSMOS

Exploring covalent organic frameworks for H2S+CO2 separation from natural gas using efficient computational approaches

Project: COSMOS

Updated at: 18-07-2024

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Project acronym COSMOS

Improving CO 2 Separation Performance of MIL‐53(Al) by Incorporating 1‐ n ‐Butyl‐3‐Methylimidazolium Methyl Su...

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H 2 /...

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

MIL‐53(Al) as a Versatile Platform for Ionic‐Liquid/MOF Composites to Enhance CO 2 Selectivity over CH 4 and N 2

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Role of partial charge assignment methods in high-throughput screening of MOF adsorbents and membranes for CO 2 /CH 4 se...

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

High‐Throughput Screening of Metal Organic Frameworks as Fillers in Mixed Matrix Membranes for Flue Gas Separation

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

In Silico Design of Metal Organic Frameworks with Enhanced CO 2 Separation Performances: Role of Metal Sites

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Influence of anion size and electronic structure on the gas separation performance of ionic liquid/ZIF-8 composites

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

CO2 separation from flue gas mixture using [BMIM][BF4]/MOF composites: Linking high-throughput computational screening w...

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Unlocking CO2 separation performance of ionic liquid/CuBTC composites: Combining experiments with molecular simulations

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Unlocking the Effect of H 2 O on CO 2 Separation Performance of Promising MOFs Using Atomically Detailed Simulations

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Revealing the effect of structure curations on the simulated CO 2 separation performances of MOFs

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO2 Capture

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

An Integrated Computational–Experimental Hierarchical Approach for the Rational Design of an IL/UiO‐66 Composite Off...

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Do New MOFs Perform Better for CO 2 Capture and H 2 Purification? Computational Screening of the Updated MOF Database

Project: COSMOS

Updated at: 27-04-2024

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Project acronym COSMOS

Resources

Hierarchical Computational Screening of Quantum Metal–Organic Framework Database to Identify Metal–Organic Framework...

Composite of MIL-101(Cr) with a Pyrrolidinium-Based Ionic Liquid Providing High CO<sub>2</sub> Selectivity

Rapid and Accurate Screening of the COF Space for Natural Gas Purification: COFInformatics

Periodic Reporting for period 4 - COSMOS (Computational Simulations of MOFs for Gas Separations)

A novel IL/MOF/polymer mixed matrix membrane having superior CO2/N2 selectivity

Advancing CH<sub>4</sub>/H<sub>2</sub> separation with covalent organic frameworks by combining molecular simulations an...

Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

Revealing acetylene separation performances of anion-pillared MOFs by combining molecular simulations and machine learni...

Incorporation of a pyrrolidinium-based ionic liquid/MIL-101(Cr) composite into Pebax sets a new benchmark for CO2/N2 sel...

How Reproducible Are Surface Areas Calculated from the BET Equation

Evaluating CH<sub>4</sub>/N<sub>2</sub> Separation Performances of Hundreds of Thousands of Real and Hypothetical MOFs b...

Accelerated Discovery of Metal–Organic Frameworks for CO<sub>2</sub> Capture by Artificial Intelligence

High-throughput computational screening of MOF adsorbents for efficient propane capture from air and natural gas mixture...

On the shoulders of high-throughput computational screening and machine learning: Design and discovery of MOFs for H2 st...

Exploring covalent organic frameworks for H2S+CO2 separation from natural gas using efficient computational approaches

Improving CO 2 Separation Performance of MIL‐53(Al) by Incorporating 1‐ n ‐Butyl‐3‐Methylimidazolium Methyl Su...

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H 2 /...

MIL‐53(Al) as a Versatile Platform for Ionic‐Liquid/MOF Composites to Enhance CO 2 Selectivity over CH 4 and N 2

Role of partial charge assignment methods in high-throughput screening of MOF adsorbents and membranes for CO 2 /CH 4 se...

High‐Throughput Screening of Metal Organic Frameworks as Fillers in Mixed Matrix Membranes for Flue Gas Separation

In Silico Design of Metal Organic Frameworks with Enhanced CO 2 Separation Performances: Role of Metal Sites

Influence of anion size and electronic structure on the gas separation performance of ionic liquid/ZIF-8 composites

CO2 separation from flue gas mixture using [BMIM][BF4]/MOF composites: Linking high-throughput computational screening w...

Unlocking CO2 separation performance of ionic liquid/CuBTC composites: Combining experiments with molecular simulations

Unlocking the Effect of H 2 O on CO 2 Separation Performance of Promising MOFs Using Atomically Detailed Simulations

Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations

Revealing the effect of structure curations on the simulated CO 2 separation performances of MOFs

Multi-Level Computational Screening of <i>in Silico</i> Designed MOFs for Efficient SO<sub>2</sub> Capture

An Integrated Computational–Experimental Hierarchical Approach for the Rational Design of an IL/UiO‐66 Composite Off...

Do New MOFs Perform Better for CO 2 Capture and H 2 Purification? Computational Screening of the Updated MOF Database