The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation
A genetic algorithm has been used to generate plausible crystal structures from the knowledge of only the unit cell dimensions and constituent elements. We successfully generate 38 known binary oxides and various known ternary oxides with the Perovskite, Pyrochlore and Spinel structures, from starti...
| Hauptverfasser: | , , , |
|---|---|
| Format: | Journal article |
| Sprache: | English |
| Veröffentlicht: |
1999
|