Convergence properties of crystal structure prediction by quasi-random sampling
Generating sets of trial structures that sample the configurational space of crystal packing possibilities is an essential step in the process of an ab initio crystal structure prediction (CSP). One effective methodology for performing such a search relies on low-discrepancy, quasi-random sampling,...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
2016.
|
| Subjects: | |
| Online Access: | Get fulltext Get fulltext Get fulltext Get fulltext |