XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction.
Zackary FallsDavid C. LoniePatrick AveryAndrew ShampEva ZurekPublished in: Comput. Phys. Commun. (2016)
Keyphrases
- evolutionary algorithm
- open source
- multi objective optimization
- prediction accuracy
- neural network
- mutation operator
- information systems
- case study
- multi objective
- prediction model
- evolutionary computation
- differential evolution
- particle swarm optimization
- quantum evolutionary algorithm
- function optimization
- prediction error
- structural information
- hierarchical structure
- data sets
- optimization problems
- genetic algorithm
- machine learning
- databases