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UPDATED Nanoparticle data sets for nanoinformati ... (No replies)

amaxiom
7 months ago
amaxiom 7 months ago

Looking for ensembles to use for nanoinformatics or data-driven nanomaterials design?

New “Structure Sets” and “Data Sets” have recently been added to the Nanoparticle Databank on the CSIRO Data Access Portal.  Current sets include hundreds of silicon quantum dots, graphene oxide nanoflakes, disordered gold, platinum and palladium nanoparticles, and more. Each set comes with a csv file characterising the topological features.  Download one or download many, and come back as often as you need.

Free to download, and with the full citation and DOI so your data provenance is trusted and your results can be reproduced. 

Access the structures for you next nanoinformatics project here.




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Ab initio (from electronic structure) calculation of complex processes in materials