ERD

The effect of disorder in multi-component covalent organic frameworks

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Long-Life Aqueous Organic Redox Flow Batteries Enabled by Amidoxime-Functionalized Ion-Selective Polymer Membranes

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Imputation of missing gas permeability data for polymer membranes using machine learning

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Molecular generation targeting desired electronic properties via deep generative models

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Updated at: 27-04-2024

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Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Modelling the effect of defects and disorder in amorphous metal−organic frameworks

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Computer Simulation of Porous Materials: Current Approaches and Future Opportunities

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Computational modeling to assist in the discovery of supramolecular materials

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Computationally-inspired discovery of an unsymmetrical porous organic cage

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymermembranes

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Computational discovery of molecular C60 encapsulants with an evolutionary algorithm

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

High‐Throughput Approaches for the Discovery of Supramolecular Organic Cages

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Modular Type III Porous Liquids Based on Porous Organic Cage Microparticles

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Observation of Rare Tri6Di9 Imine Cages Using Highly Fluorinated Building Blocks

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Coarse-grained modelling to predict the packing of porous organic cages

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Fullerene Desymmetrization as a Means to Achieve Single‐Enantiomer Electron Acceptors with Maximized Chiroptical Respo...

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Mixed hierarchical local structure in a disordered metal–organic framework

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Multivariate analysis of disorder in metal–organic frameworks

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Diastereoselective Self-Assembly of Low-Symmetry PdnL2n Nanocages through Coordination-Sphere Engineering

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Deep generative design of porous organic cages via a variational autoencoder

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Porous liquids – the future is looking emptier

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Unlocking the computational design of metal–organic cages

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Hydrophilic microporous membranes for selective ion separation and flow-battery energy storage

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Thin Film Composite Membranes with Regulated Crossover and Water Migration for Long-Life Aqueous Redox Flow Batteries

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Into the Unknown: How Computation Can Help Explore Uncharted Material Space

Project: CoMMaD

Updated at: 27-04-2024

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Explainable Graph Neural Networks for Organic Cages

Project: CoMMaD

Updated at: 27-04-2024

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Project acronym CoMMaD

Resources

Selected filters:

The effect of disorder in multi-component covalent organic frameworks

Long-Life Aqueous Organic Redox Flow Batteries Enabled by Amidoxime-Functionalized Ion-Selective Polymer Membranes

Imputation of missing gas permeability data for polymer membranes using machine learning

Molecular generation targeting desired electronic properties via deep generative models

Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures

Modelling the effect of defects and disorder in amorphous metal−organic frameworks

Computer Simulation of Porous Materials: Current Approaches and Future Opportunities

Computational modeling to assist in the discovery of supramolecular materials

From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting

Computationally-inspired discovery of an unsymmetrical porous organic cage

Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymermembranes

Computational discovery of molecular C60 encapsulants with an evolutionary algorithm

High‐Throughput Approaches for the Discovery of Supramolecular Organic Cages

Modular Type III Porous Liquids Based on Porous Organic Cage Microparticles

Observation of Rare Tri6Di9 Imine Cages Using Highly Fluorinated Building Blocks

High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design

Coarse-grained modelling to predict the packing of porous organic cages

Fullerene Desymmetrization as a Means to Achieve Single‐Enantiomer Electron Acceptors with Maximized Chiroptical Respo...

Mixed hierarchical local structure in a disordered metal–organic framework

Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting

Multivariate analysis of disorder in metal–organic frameworks

Diastereoselective Self-Assembly of Low-Symmetry PdnL2n Nanocages through Coordination-Sphere Engineering

Deep generative design of porous organic cages via a variational autoencoder

Porous liquids – the future is looking emptier

Unlocking the computational design of metal–organic cages

Hydrophilic microporous membranes for selective ion separation and flow-battery energy storage

Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage

Thin Film Composite Membranes with Regulated Crossover and Water Migration for Long-Life Aqueous Redox Flow Batteries

Into the Unknown: How Computation Can Help Explore Uncharted Material Space

Explainable Graph Neural Networks for Organic Cages