Abstract
Creating a cockpit-like overview of large materials simulation databases
This software places the scientist in the ‘cockpit’ of a database of materials simulated at the atomic scale. These databases are so richly filled with information that it is difficult to assess its contents. The software generates an overview in PDF format of the most important physical properties in the database and their distributions. It enables a quick executive decision; to use, extend or discard this database for new simulations.
This software places the scientist in the ‘cockpit’ of a database of materials simulated at the atomic scale. These databases are so richly filled with information that it is difficult to assess its contents. The software generates an overview in PDF format of the most important physical properties in the database and their distributions. It enables a quick executive decision; to use, extend or discard this database for new simulations.
| Original language | English |
|---|---|
| Place of Publication | GitHub |
| Publication status | Published - 1 Sept 2023 |
Keywords
- FAIR data