Prediction of inorganic crystal framework structures - Part 1: Using a genetic algorithm and an indirect approach to exclusion zones
A genetic algorithm has been used to generate crystal framework structures from the knowledge of only the unit cell dimensions, constituent atoms and by defining exclusion zones-regions within the unit cell from which the constituent atoms are discouraged. The structures of the better candidates pro...
| Main Authors: | , , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2004
|