Data

Silver Nanoparticle Data Set

Commonwealth Scientific and Industrial Research Organisation
Barnard, Amanda ; Sun, Baichuan ; Motevalli Soumehsaraei, Ben ; Opletal, George
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25919/5d22d20bc543e&rft.title=Silver Nanoparticle Data Set&rft.identifier=https://doi.org/10.25919/5d22d20bc543e&rft.publisher=Commonwealth Scientific and Industrial Research Organisation&rft.description=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 convention 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.Lineage: Simulated by Amanda Barnard for the purposes of studying the impact of polydispersivity on the properties of silver nanoparticle ensembles.&rft.creator=Barnard, Amanda &rft.creator=Sun, Baichuan &rft.creator=Motevalli Soumehsaraei, Ben &rft.creator=Opletal, George &rft.date=2019&rft.edition=v3&rft_rights=CSIRO Data Licence https://research.csiro.au/dap/licences/csiro-data-licence/&rft_rights=Data is accessible online and may be reused in accordance with licence conditions&rft_rights=All Rights (including copyright) CSIRO 2017.&rft_subject=materials&rft_subject=molecules&rft_subject=molecular&rft_subject=nanoparticle&rft_subject=nanostructure&rft_subject=computational&rft_subject=DFT&rft_subject=simulation&rft_subject=results&rft_subject=silver&rft_subject=Theory and design of materials&rft_subject=Macromolecular and materials chemistry&rft_subject=CHEMICAL SCIENCES&rft_subject=Theoretical and computational chemistry not elsewhere classified&rft_subject=Theoretical and computational chemistry&rft_subject=Nanomaterials&rft_subject=Nanotechnology&rft_subject=ENGINEERING&rft_subject=Nanotechnology not elsewhere classified&rft_subject=Artificial intelligence not elsewhere classified&rft_subject=Artificial intelligence&rft_subject=INFORMATION AND COMPUTING SCIENCES&rft_subject=Data mining and knowledge discovery&rft_subject=Data management and data science&rft_subject=Condensed matter modelling and density functional theory&rft_subject=Condensed matter physics&rft_subject=PHYSICAL SCIENCES&rft_subject=Condensed matter physics not elsewhere classified&rft.type=dataset&rft.language=English Access the data
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Data is accessible online and may be reused in accordance with licence conditions

All Rights (including copyright) CSIRO 2017.

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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 convention 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.
Lineage: Simulated by Amanda Barnard for the purposes of studying the impact of polydispersivity on the properties of silver nanoparticle ensembles.

Available: 2019-07-08

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Subjects
Artificial Intelligence | Artificial Intelligence Not Elsewhere Classified | Chemical Sciences | Condensed Matter Modelling and Density Functional Theory | Condensed Matter Physics | Condensed Matter Physics Not Elsewhere Classified | DFT | Data Management and Data Science | Data Mining and Knowledge Discovery | Engineering | Information and Computing Sciences | Macromolecular and Materials Chemistry | Nanomaterials | Nanotechnology | Nanotechnology Not Elsewhere Classified | Physical Sciences | Theoretical and Computational Chemistry | Theoretical and Computational Chemistry Not Elsewhere Classified | Theory and Design of Materials | computational | materials | molecular | molecules | nanoparticle | nanostructure | results | silver | simulation |

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Identifiers
ACN 633 798 857