CALYPSO: A method for crystal structure prediction.
Yanchao WangJian LvLi ZhuYanming MaPublished in: Comput. Phys. Commun. (2012)
Keyphrases
- high accuracy
- detection method
- experimental evaluation
- theoretical analysis
- similarity measure
- fully automatic
- significant improvement
- cost function
- computational cost
- support vector machine
- preprocessing
- optimization algorithm
- objective function
- synthetic data
- classification method
- computational complexity
- support vector machine svm
- high precision
- feature extraction
- prediction model
- prediction error