Automated generation of highly accurate, efficient and transferable pseudopotentials.
R. A. HanselCasey N. BrockBrandon C. PaikoffAlan R. TackettD. Greg WalkerPublished in: Comput. Phys. Commun. (2015)
Keyphrases
- highly accurate
- high quality
- capable of producing
- high accuracy
- evolutionary algorithm
- multiresolution
- computationally efficient
- computationally expensive
- computer assisted
- fully automated
- accurate models
- wide range
- computational complexity
- artificial neural networks
- data driven
- lightweight
- cost effective
- multiscale
- real time