Therefore, we herein present ReDD-COFFEE, the Ready-to-use and Diverse Database of Covalent Organic Frameworks with Force field based Energy Evaluation, containing 268 687 COFs and accompanying ab initio derived force fields that are shown to outperform generic ones. Yet, such screenings vitally depend on the availability of diverse databases and accurate interatomic potentials to efficiently predict each hypothetical COF's macroscopic behavior, which is currently lacking. Computational high-throughput screenings offer a valuable alternative to speed-up such materials discovery. Given the sheer number of hypothetical COFs envisioned via reticular synthesis, only a fraction of all COFs have been synthesized so far. Covalent organic frameworks (COFs) are a versatile class of building block materials with outstanding properties thanks to their strong covalent bonds and low density.
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