Toward high-performance computational chemistry: I. Scalable Fock matrix construction algorithms.
Ian T. FosterJeffrey L. TilsonAlbert F. WagnerRon L. ShepardRobert J. HarrisonRicky A. KendallRik J. LittlefieldPublished in: J. Comput. Chem. (1996)
Keyphrases
- learning algorithm
- orders of magnitude
- linear algebra
- computational complexity
- computationally efficient
- theoretical analysis
- highly scalable
- data structure
- highly efficient
- computational cost
- eigenvalues and eigenvectors
- high efficiency
- graph theory
- real time
- evolutionary algorithm
- search algorithm
- objective function
- computer vision
- data sets