Graphene Oxide Nanoflake Archetypes and Prototypes

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About this Collection

Graphene Oxide Nanoflake Archetypes and Prototypes

The collection contains the atomic coordinates of the best matching graphene oxide nanoflakes to the 25 archetypes identified using archetypal analysis, and 3 prototypes identified using iterative label spreading clustering analysis, each using an ensemble data set of 20386 unique samples defined by 830 topological features, generated by relaxing e... more

Artificial Intelligence and Image Processing not elsewhere classified Cheminformatics and Quantitative Structure-Activity Relationships Condensed Matter Modelling and Density Functional Theory Nanomaterials Nanotechnology not elsewhere classified Pattern Recognition and Data Mining Theoretical and Computational Chemistry not elsewhere classified

01 Jan 2019

31 Dec 2999

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graphene oxide structure prototype archetype coordinates nanomaterials

Lin Lai, Baichuan Sun, Benyamin Motevalli, Amanda S. Barnard

CSIRO Data Licence

CSIRO (Australia)

Barnard, Amanda; Motevalli Soumehsaraei, Benyamin (2019): Graphene Oxide Nanoflake Archetypes and Prototypes. v1. CSIRO. Data Collection.

All Rights (including copyright) CSIRO 2019.

The metadata and files (if any) are available to the public.

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About this Project

Decision Sciences - Program Management

Data set to accompany the publication of journal article "Does Twinning Impact Structure/Property Relationships in Diamond Nanoparticles?"

Amanda Barnard

Nanostructure Data Bank

A repository for sets of initial configurations (structure sets) and fully relaxed and reconstructed nanostructures (data sets), with properties calculated with electronic structure methods.


High Performance Supercomputer

Amanda Barnard

Benyamin Motevalli Soumehsaraei

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