CORDIS Project
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This project aims to enhance the design of inorganic materials by developing a comprehensive understanding of chemical bonding, particularly multicenter bonds. By utilizing large-scale quantum chemical analysis and machine learning, it seeks to create predictive models and rules for material properties, with initial ap…
A major challenge for the green transition is our inability to rationally design inorganic materials with tailor-made properties.
This project will tackle this inability by transforming our understanding of chemical bonding in inorganic materials.Understandable rules based on chemical bonds have greatly advanced chemistry but are missing for most material properties, severely limiting the rational design of materials.
Until recently, quantum chemical bonding analysis of inorganic materials has o…
BUNDESANSTALT FUER MATERIALFORSCHUNG UND -PRUEFUNG
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