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Silver Nanoparticle Data Set
This is a set of silver nanoparticle FINAL CONFIGURATIONS, for use in data driven studies. These structures have been optimized (fully relaxed) using Density Functional Tight Binding. Sizes range from 13 atoms to 2947 atoms, with a variety of shapes as described in the accompanying metadata file.
All files are in XYZ format, and the naming conv... moreention is defined in the accompanying spreadsheet that lists all of the structural, statistical and energetic properties, as well as in the meta data file. This spreadsheet and meta data file is available in the Supporting Attachments. less
Artificial Intelligence and Image Processing not elsewhere classified
Condensed Matter Modelling and Density Functional Theory
Condensed Matter Physics not elsewhere classified
Nanotechnology not elsewhere classified
Pattern Recognition and Data Mining
Theoretical and Computational Chemistry not elsewhere classified
Theory and Design of Materials
Simulated by Amanda Barnard for the purposes of studying the impact of polydispersivity on the properties of silver nanoparticle ensembles.
Baichuan Sun, George Opletal and Amanda S Barnard
CSIRO Data Licence
Barnard, Amanda; Sun, Baichuan; Motevalli Soumehsaraei, Benyamin; Opletal, George (2017): Silver Nanoparticle Data Set. v3. CSIRO. Data Collection.
All Rights (including copyright) CSIRO 2017.
The metadata and files (if any) are available to the public.
data available as text
Windows, Mac, Linux, Unix
Decision Sciences - Program Management
Applied machine learning
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
Benyamin Motevalli Soumehsaraei
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