XtalOpt Version r10: An open-source evolutionary algorithm for crystal structure prediction.
Patrick AveryZackary FallsEva ZurekPublished in: Comput. Phys. Commun. (2017)
Keyphrases
- evolutionary algorithm
- open source
- prediction accuracy
- evolutionary computation
- optimization problems
- real time
- structural information
- multi objective
- knowledge base
- genetic algorithm
- neural network
- xml documents
- fitness function
- hierarchical structure
- databases
- database
- graph structure
- open source software
- genetic operators
- prediction algorithm
- evolutionary process
- open source projects