A parallel orbital-updating based plane-wave basis method for electronic structure calculations.
Yan PanXiaoying DaiStefano de GironcoliXingao GongGian-Marco RignaneseAihui ZhouPublished in: J. Comput. Phys. (2017)
Keyphrases
- experimental evaluation
- cost function
- detection method
- significant improvement
- computational cost
- probabilistic model
- clustering method
- objective function
- preprocessing
- optimization method
- multiresolution
- prior knowledge
- dynamic programming
- high precision
- parallel implementation
- tree structure
- synthetic data
- semi supervised
- support vector machine
- pairwise
- computational complexity