Multipole moments for embedding potentials: Exploring different atomic allocation algorithms.
Morten S. NørbyJógvan Magnus H. OlsenJacob KongstedHans Jorgen Aagard JensenPublished in: J. Comput. Chem. (2016)
Keyphrases
- recently developed
- graph theory
- times faster
- computational cost
- worst case
- moment invariants
- machine learning
- combinatorial optimization
- orders of magnitude
- theoretical analysis
- data mining techniques
- higher order
- semi supervised
- evolutionary algorithm
- data structure
- face recognition
- social networks
- learning algorithm
- genetic algorithm