ArticleScientific data2023
CRAFTED: An exploratory database of simulated adsorption isotherms of metal-organic frameworks.
Article in Scientific data, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
9 citing papers in PubMed.
- Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CONature communications · 2026Article
- Machine learning-derived stage-specific design rules for metal-organic framework selection in seasonal hydrogen storage.Scientific reports · 2026Article
- Queryable Gaseous Adsorption Properties of Pure Components and Mixtures in Metal-Organic Frameworks.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Computational Simulations of Metal-Organic Frameworks to Enhance Adsorption Applications.Advanced materials (Deerfield Beach, Fla.) · 2025Review
- Comparing Classical and Machine Learning Force Fields for Modeling Deformation of Metal-Organic Frameworks Relevant for Direct Air Capture.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Inverse design of metal-organic frameworks using deep dreaming approaches.Nature communications · 2025Article
- Quantifying the Uncertainty of Force Field Selection on Adsorption Predictions in MOFs.Journal of chemical theory and computation · 2024Article
- A Scalable Robust Microporous Al-MOF for Post-Combustion Carbon Capture.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- CRAFTED: An exploratory database of simulated adsorption isotherms of metal-organic frameworks.Scientific data · 2023Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Grand Canonical Monte Carlo is an important method for performing molecular-level simulations and assisting the study and development of nanoporous materials for gas capture applications. These simulations are based on the use of force fields and partial charges to model the interaction between the adsorbent molecules and the solid framework. The choice of the force field parameters and partial charges can significantly impact the results obtained, however, there are very few databases available to support a comprehensive impact evaluation. Here, we present a database of simulations of CO
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.