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Showing 1 to 2 of 2 for “"materials databases"”.

  1. Crystal structure prediction for rechargeable battery anodes

    … of research data management and dissemination in materials science is presented through the lens of the OPTIMADE specification and related software endeavours.

    cambridge Repository record for Crystal structure prediction for rechargeable battery anodes (opens in a new tab)

  2. Building and Exploring Databases of Porous Materials for Adsorption Applications

    In recent years, the field of porous materials has witnessed increasing interest towards customisable structures. Among them are metal-organic frameworks (MOFs), covalent organic frameworks (COFs), metal-organic cages (MOCs) and organic cages (OCs). MOFs are coordination networks assembled from …

    cambridge Repository record for Building and Exploring Databases of Porous Materials for Adsorption Applications (opens in a new tab)