• CSD Metal-Organic Framework Collection in Action: Improving hydrogen physisorption energy of MOFs for energy storage

    Here we highlight a paper by researchers at the Material Engineering Division of Toyota Motor Europe and the University of Crete who used CCDC’s metal-organic framework (MOF) collection to investigate how ligand functionalization affects the hydrogen storage profile of MOFs. This is part of our series highlighting examples of​​ the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

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  • Rigaku School for Practical Crystallography: Applications of software, techniques and technologies

    I’m a Research and Applications Scientist on the Materials Science team at CCDC, and I recently taught a session at the Rigaku School for Practical Crystallography, which ran from June 7–18, 2021. The school focused on practical applications of software, techniques and technologies for crystallography. This blog contains links to my recorded modules as well as a self-assessment quiz you can use to check what you’ve learned.

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  • CSD in action: Using machine learning to predict the crystalline properties of molecular compounds without their crystal structures

    Here we highlight a paper by scientists at the Lawrence Livermore National Laboratory using the Cambridge Structural Database (CSD) to train models to predict the densities of molecules from chemical structure alone. This is part of our series highlighting examples of​​ the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

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  • Getting the most from CSD-Materials

    I’m a Research and Applications Scientist on the Materials Science team at CCDC. In this short blog and accompanying video, I walk through how to make the most of your CSD-Enterprise licence using the tools in CSD-Materials. In the first half of the video, I focus on the Cambridge Structural Database (CSD), highlighting its integrations with other databases and how to best use it for geometric analysis. In the second half of the video, I discuss applications of the CSD-Materials software, demonstrating how the different tools within the suite can help with pharmaceutical risk analysis.

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