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NEW! Free Structure Sets for Simulation Studies (No replies)

7 months ago
amaxiom 7 months ago

Looking for sets of pre-made nanostructures to use in your next simulation study?

Looking for structures you can use to test methods and codes?

Looking for ensembles to use for data-driven nanomaterials discovery?

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, silver nanoparticles, graphene nanoflakes, boron nitride nanotubes, and more. 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 big project here.

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