WS1UC3: Difference between revisions

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| [https://metainfo.nomad-coe.eu/nomadmetainfo_public/archive.html NOMAD] || Data coming from molecular modeling || It belongs to an HPC European Centre of Excellence   
| [https://metainfo.nomad-coe.eu/nomadmetainfo_public/archive.html NOMAD] || Data coming from molecular modeling || It belongs to an HPC European Centre of Excellence   
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| [http://www.matweb.com/ MATWEB] || Example || Example
| [http://www.matweb.com/ MATWEB] || ||
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| [http://www.urbanmineplatform.eu/homepage Urban Mine Platform] || Example || Example
| [http://www.urbanmineplatform.eu/homepage Urban Mine Platform] || ||
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| [https://odin.jrc.ec.europa.eu/odin/index.jsp ODIN JRC] || High quality data in structural materials science || It is managed by JRC  
| [https://odin.jrc.ec.europa.eu/odin/index.jsp ODIN JRC] || High quality data in structural materials science || It is managed by JRC  
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| FactSage Browser Thermochemical Data || Example || Example
| FactSage Browser Thermochemical Data || ||
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| NIST X-ray Photoelectron Spectroscopy (XPS) Database || Example || Example
| NIST X-ray Photoelectron Spectroscopy (XPS) Database || ||
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| [http://www.aflow.org/ AFLOWLIB] || Automatic Flow for Materials Discovery ||
| [http://www.aflow.org/ AFLOWLIB] || Automatic Flow for Materials Discovery ||

Revision as of 17:47, 2 June 2020

This page provides space for notes from workshop discussions of use case 3 during Day 2 of WS1.

Interactive elements

The discussions can also benefit from considering the EERAdata storyboard and/or slido comments. See WS1#Interactive_elements

Lessons learned during WS1 Day1

  1. What is the take-home message for you?
  2. What do you suggest doing tomorrow?
  3. Have you seen today best practices from other communities outside of your use-case?

Notes from the morning session

The morning session is dedicated to database discussions with the aim to select 3-5 databases from below's list of databases for further examination. The first table of the WIKI page is filled out by noon.

Draft list of databases

  • Add bulleted list item or table entry
Name of database Description Reasoning of choice
NOMAD Data coming from molecular modeling It belongs to an HPC European Centre of Excellence
MATWEB
Urban Mine Platform
ODIN JRC High quality data in structural materials science It is managed by JRC
FactSage Browser Thermochemical Data
NIST X-ray Photoelectron Spectroscopy (XPS) Database
AFLOWLIB Automatic Flow for Materials Discovery
OQMD Open Quantum Materials Database
C2DB Computational 2D Materials Database
Name Description Link
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example
Example Example Example

Discussion on the choice of databases:

  • Bulleted list item

Notes from the afternoon session

The afternoon session is dedicated to discussing metadata for the selected databases. The aim of the afternoon session is to fill out table 2 of the wiki page for the use case and to decide what to report back from the use case to the plenary session the next day (again, see the WIKI template for a suggested structure). Thus, at the end of the day, the WIKI page for the use case is complete.

  • Bulleted list item

What to report back to the plenary on Day 3?

  • Databases selected (names and short reasoning)
  • Main insights from discussions
  • Suggested next steps
  • Other issues