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A Step Towards Predicting the Synthesis Conditions of Metal-Organic Frameworks

Authors: Dinga Wonanke; Thomas Heine; Christof Wöll;

A Step Towards Predicting the Synthesis Conditions of Metal-Organic Frameworks

Abstract

This poster summarises our approach in the creation of a comprehensive, curated and FAIR database of Metal-organic frameworks (MOFs). This database maps the crystal structures of already synthesised MOFs to their experimental synthetic conditions, building units and properties. The database will be fully available in NOMAD as open source at the end of October 2023

FAIRmat is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – project 460197019

Related Organizations
Keywords

Synthesis condition, Natural language processing, Machine learning, NOMAD, Metal-organic frameworks, Porosity, FAIR

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